PubChemLite - 113915-55-2 (C34H37N3O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC=C(C=C1)C2(C3=C(C(=C(C=C3)N(C)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)30-22-23-31(36(4)5)24(3)32(30)35-33(39-34)25-12-10-9-11-13-25/h9-23H,7-8H2,1-6H3

InChIKey

KQDHQXBNVXMLKD-UHFFFAOYSA-N

Compound name

4-[4-(diethylamino)phenyl]-4-(4-methoxyphenyl)-N,N,8-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	235.1
[M+Na]+	542.27782	252.9
[M+NH4]+	537.32242	244.4
[M+K]+	558.25176	239.9
[M-H]-	518.28132	247.9
[M+Na-2H]-	540.26327	247.6
[M]+	519.28805	241.9
[M]-	519.28915	241.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.29588

235.1

[M+Na]+

542.27782

252.9

[M+NH4]+

537.32242

244.4

[M+K]+

558.25176

239.9

[M-H]-

518.28132

247.9

[M+Na-2H]-

540.26327

247.6

[M]+

519.28805

241.9

[M]-

519.28915

241.9

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

113915-55-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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