PubChemLite - 169685-34-1 (C40H36N2O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OC)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=C(C=C(C=C6)OC)C

InChI

InChI=1S/C40H36N2O2/c1-29-27-37(43-3)23-25-39(29)41(33-11-7-5-8-12-33)35-19-15-31(16-20-35)32-17-21-36(22-18-32)42(34-13-9-6-10-14-34)40-26-24-38(44-4)28-30(40)2/h5-28H,1-4H3

InChIKey

HACXFZALVVMGPO-UHFFFAOYSA-N

Compound name

4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline

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]+	577.28493	249.8
[M+Na]+	599.26687	252.2
[M-H]-	575.27037	268.1
[M+NH4]+	594.31147	251.2
[M+K]+	615.24081	246.3
[M+H-H2O]+	559.27491	232.7
[M+HCOO]-	621.27585	271.0
[M+CH3COO]-	635.29150	255.2
[M+Na-2H]-	597.25232	247.9
[M]+	576.27710	251.0
[M]-	576.27820	251.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.28493

249.8

[M+Na]+

599.26687

252.2

[M-H]-

575.27037

268.1

[M+NH4]+

594.31147

251.2

[M+K]+

615.24081

246.3

[M+H-H2O]+

559.27491

232.7

[M+HCOO]-

621.27585

271.0

[M+CH3COO]-

635.29150

255.2

[M+Na-2H]-

597.25232

247.9

[M]+

576.27710

251.0

[M]-

576.27820

251.0

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

169685-34-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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