CID 10115786
438450-43-2
Structural Information
- Molecular Formula
- C18H12BrCl2N5O
- SMILES
- CC1=CC(=CC2=C1N=C(N(C2=O)C)C3=CC(=NN3C4=C(C=CC=N4)Cl)Br)Cl
- InChI
- InChI=1S/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3
- InChIKey
- QTUSYELSINABSI-UHFFFAOYSA-N
- Compound name
- 2-[5-bromo-2-(3-chloropyridin-2-yl)pyrazol-3-yl]-6-chloro-3,8-dimethylquinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 463.96752 | 190.7 |
[M+Na]+ | 485.94946 | 209.1 |
[M-H]- | 461.95296 | 198.4 |
[M+NH4]+ | 480.99406 | 201.7 |
[M+K]+ | 501.92340 | 193.5 |
[M+H-H2O]+ | 445.95750 | 186.8 |
[M+HCOO]- | 507.95844 | 198.5 |
[M+CH3COO]- | 521.97409 | 202.9 |
[M+Na-2H]- | 483.93491 | 193.8 |
[M]+ | 462.95969 | 216.2 |
[M]- | 462.96079 | 216.2 |
Literature stripe
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