CID 4736849
4-chloro-2-(pyridin-4-yl)quinazoline
Structural Information
- Molecular Formula
- C13H8ClN3
- SMILES
- C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)Cl
- InChI
- InChI=1S/C13H8ClN3/c14-12-10-3-1-2-4-11(10)16-13(17-12)9-5-7-15-8-6-9/h1-8H
- InChIKey
- RWUSMOWAZASBJI-UHFFFAOYSA-N
- Compound name
- 4-chloro-2-pyridin-4-ylquinazoline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 242.04796 | 150.6 |
[M+Na]+ | 264.02990 | 161.7 |
[M-H]- | 240.03340 | 154.0 |
[M+NH4]+ | 259.07450 | 165.7 |
[M+K]+ | 280.00384 | 154.9 |
[M+H-H2O]+ | 224.03794 | 141.0 |
[M+HCOO]- | 286.03888 | 166.2 |
[M+CH3COO]- | 300.05453 | 162.8 |
[M+Na-2H]- | 262.01535 | 160.5 |
[M]+ | 241.04013 | 152.2 |
[M]- | 241.04123 | 152.2 |