CID 22983541

29243-26-3

Structural Information

Molecular Formula
C38H32N3
SMILES
CC1=CC(=CC=C1)NC2=CC=C(C=C2)[C+](C3=CC=C(C=C3)NC4=CC=CC=C4)C5=CC=C(C=C5)NC6=CC=CC=C6
InChI
InChI=1S/C38H32N3/c1-28-9-8-14-37(27-28)41-36-25-19-31(20-26-36)38(29-15-21-34(22-16-29)39-32-10-4-2-5-11-32)30-17-23-35(24-18-30)40-33-12-6-3-7-13-33/h2-27,39-41H,1H3/q+1
InChIKey
CJHGWFZKZRQONC-UHFFFAOYSA-N
Compound name
N-[4-[bis(4-anilinophenyl)methyl]phenyl]-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

530.25964 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.26692 236.6
[M+Na]+ 553.24886 236.9
[M-H]- 529.25236 251.9
[M+NH4]+ 548.29346 237.8
[M+K]+ 569.22280 222.0
[M+H-H2O]+ 513.25690 223.6
[M+HCOO]- 575.25784 257.1
[M+CH3COO]- 589.27349 240.8
[M+Na-2H]- 551.23431 240.6
[M]+ 530.25909 230.2
[M]- 530.26019 230.2
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

patents stripe