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
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 |
Literature stripe
No literature data available for this compound.