CID 63629
Brn 4588625
Structural Information
- Molecular Formula
- C27H19ClN4O
- SMILES
- C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)N
- InChI
- InChI=1S/C27H19ClN4O/c28-23-15-14-21(16-24(23)29)32-26(31-25-9-5-4-8-22(25)27(32)33)19-10-12-20(13-11-19)30-17-18-6-2-1-3-7-18/h1-17H,29H2
- InChIKey
- LKFDXSLQQJSNNV-UHFFFAOYSA-N
- Compound name
- 3-(3-amino-4-chlorophenyl)-2-[4-(benzylideneamino)phenyl]quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 451.13201 | 212.8 |
[M+Na]+ | 473.11395 | 222.6 |
[M-H]- | 449.11745 | 224.1 |
[M+NH4]+ | 468.15855 | 219.8 |
[M+K]+ | 489.08789 | 212.5 |
[M+H-H2O]+ | 433.12199 | 199.0 |
[M+HCOO]- | 495.12293 | 230.1 |
[M+CH3COO]- | 509.13858 | 221.3 |
[M+Na-2H]- | 471.09940 | 217.0 |
[M]+ | 450.12418 | 214.5 |
[M]- | 450.12528 | 214.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.