CID 136013872
7-amino-6-chloro-3,4-dihydroquinazolin-4-one
Structural Information
- Molecular Formula
- C8H6ClN3O
- SMILES
- C1=C2C(=CC(=C1Cl)N)N=CNC2=O
- InChI
- InChI=1S/C8H6ClN3O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,10H2,(H,11,12,13)
- InChIKey
- HWBWNWYRTQNIAK-UHFFFAOYSA-N
- Compound name
- 7-amino-6-chloro-3H-quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 196.02722 | 136.3 |
[M+Na]+ | 218.00916 | 148.3 |
[M-H]- | 194.01266 | 137.2 |
[M+NH4]+ | 213.05376 | 154.4 |
[M+K]+ | 233.98310 | 142.3 |
[M+H-H2O]+ | 178.01720 | 130.3 |
[M+HCOO]- | 240.01814 | 153.2 |
[M+CH3COO]- | 254.03379 | 149.5 |
[M+Na-2H]- | 215.99461 | 144.6 |
[M]+ | 195.01939 | 136.1 |
[M]- | 195.02049 | 136.1 |
Literature stripe
No literature data available for this compound.