CID 171636

Einecs 261-123-5

Structural Information

Molecular Formula
C40H35N3
SMILES
CC1=CC(=CC=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC(=C4)C)C=C3)C5=CC=C(C=C5)NC6=CC=CC(=C6)C
InChI
InChI=1S/C40H35N3/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/h4-27,41-42H,1-3H3
InChIKey
NHACXHBSASNCCK-UHFFFAOYSA-N
Compound name
3-methyl-N-[4-[[4-(3-methylanilino)phenyl]-[4-(3-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

557.2831 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.29038 243.3
[M+Na]+ 580.27232 245.4
[M-H]- 556.27582 260.0
[M+NH4]+ 575.31692 245.0
[M+K]+ 596.24626 235.4
[M+H-H2O]+ 540.28036 227.2
[M+HCOO]- 602.28130 264.2
[M+CH3COO]- 616.29695 248.1
[M+Na-2H]- 578.25777 242.2
[M]+ 557.28255 238.0
[M]- 557.28365 238.0
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