CID 99119268

60518-05-0

Structural Information

Molecular Formula
C40H36N3
SMILES
CC1=CC(=CC=C1)NC2=CC=C(C=C2)[C+](C3=CC=C(C=C3)NC4=CC=CC(=C4)C)C5=CC=C(C=C5)NC6=CC=CC(=C6)C
InChI
InChI=1S/C40H36N3/c1-28-7-4-10-37(25-28)41-34-19-13-31(14-20-34)40(32-15-21-35(22-16-32)42-38-11-5-8-29(2)26-38)33-17-23-36(24-18-33)43-39-12-6-9-30(3)27-39/h4-27,41-43H,1-3H3/q+1
InChIKey
UVRRJQCSQYRNFU-UHFFFAOYSA-N
Compound name
N-[4-[bis[4-(3-methylanilino)phenyl]methyl]phenyl]-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.2909 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.29818 248.0
[M+Na]+ 581.28012 249.0
[M-H]- 557.28362 263.7
[M+NH4]+ 576.32472 248.6
[M+K]+ 597.25406 234.1
[M+H-H2O]+ 541.28816 234.6
[M+HCOO]- 603.28910 267.7
[M+CH3COO]- 617.30475 251.8
[M+Na-2H]- 579.26557 249.3
[M]+ 558.29035 242.9
[M]- 558.29145 242.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.