CID 6440101
102280-62-6
Structural Information
- Molecular Formula
- C29H29N6O
- SMILES
- C[N+]1=C2C=CC(=CC2=C(C=C1)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)/C=C/C5=NCCCN5)N
- InChI
- InChI=1S/C29H28N6O/c1-35-18-15-26(25-19-22(30)8-13-27(25)35)33-23-9-11-24(12-10-23)34-29(36)21-6-3-20(4-7-21)5-14-28-31-16-2-17-32-28/h3-15,18-19H,2,16-17,30H2,1H3,(H2,31,32,34,36)/p+1/b14-5+
- InChIKey
- MSKFBNHELANPSP-LHHJGKSTSA-O
- Compound name
- N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(E)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 478.24758 | 218.1 |
[M+Na]+ | 500.22952 | 220.6 |
[M-H]- | 476.23302 | 224.8 |
[M+NH4]+ | 495.27412 | 219.2 |
[M+K]+ | 516.20346 | 205.2 |
[M+H-H2O]+ | 460.23756 | 206.4 |
[M+HCOO]- | 522.23850 | 232.1 |
[M+CH3COO]- | 536.25415 | 236.6 |
[M+Na-2H]- | 498.21497 | 223.4 |
[M]+ | 477.23975 | 209.7 |
[M]- | 477.24085 | 209.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.