CID 16535

22244-16-2

Structural Information

Molecular Formula
C37H29N3
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC=C4)C=C3)C5=CC=C(C=C5)NC6=CC=CC=C6
InChI
InChI=1S/C37H29N3/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33/h1-27,38-39H
InChIKey
MIIMIZNJMPQNKO-UHFFFAOYSA-N
Compound name
4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

455
Patents

515.23615 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.24343 237.3
[M+Na]+ 538.22537 256.1
[M+NH4]+ 533.26997 246.2
[M+K]+ 554.19931 241.3
[M-H]- 514.22887 253.4
[M+Na-2H]- 536.21082 254.8
[M]+ 515.23560 245.0
[M]- 515.23670 245.0
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