PubChemLite - 4h-3,1-benzoxazin-7-amine, 4-4-(diethylamino)phenyl-4-(4-methoxyphenyl)-n,n,6-trimethyl-2-phenyl- (C34H37N3O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC=C(C=C1)C2(C3=C(C=C(C(=C3)C)N(C)C)N=C(O2)C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C34H37N3O2/c1-7-37(8-2)28-18-14-26(15-19-28)34(27-16-20-29(38-6)21-17-27)30-22-24(3)32(36(4)5)23-31(30)35-33(39-34)25-12-10-9-11-13-25/h9-23H,7-8H2,1-6H3

InChIKey

OBIHCWVSAKSGKY-UHFFFAOYSA-N

Compound name

4-[4-(diethylamino)phenyl]-4-(4-methoxyphenyl)-N,N,6-trimethyl-2-phenyl-3,1-benzoxazin-7-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	520.29588	237.3
[M+Na]+	542.27782	242.3
[M-H]-	518.28132	251.5
[M+NH4]+	537.32242	243.1
[M+K]+	558.25176	238.5
[M+H-H2O]+	502.28586	221.9
[M+HCOO]-	564.28680	255.6
[M+CH3COO]-	578.30245	244.2
[M+Na-2H]-	540.26327	237.7
[M]+	519.28805	241.7
[M]-	519.28915	241.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.29588

237.3

[M+Na]+

542.27782

242.3

[M-H]-

518.28132

251.5

[M+NH4]+

537.32242

243.1

[M+K]+

558.25176

238.5

[M+H-H2O]+

502.28586

221.9

[M+HCOO]-

564.28680

255.6

[M+CH3COO]-

578.30245

244.2

[M+Na-2H]-

540.26327

237.7

[M]+

519.28805

241.7

[M]-

519.28915

241.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4h-3,1-benzoxazin-7-amine, 4-4-(diethylamino)phenyl-4-(4-methoxyphenyl)-n,n,6-trimethyl-2-phenyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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