CID 63924
Brn 4600845
Structural Information
- Molecular Formula
- C27H17ClN4O3
- SMILES
- C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl)C5=CC=CC=C5[N+](=O)[O-]
- InChI
- InChI=1S/C27H17ClN4O3/c28-20-13-9-18(10-14-20)17-29-21-15-11-19(12-16-21)26-30-23-6-2-1-5-22(23)27(33)31(26)24-7-3-4-8-25(24)32(34)35/h1-17H
- InChIKey
- PIWXLUKJUPCWOM-UHFFFAOYSA-N
- Compound name
- 2-[4-[(4-chlorophenyl)methylideneamino]phenyl]-3-(2-nitrophenyl)quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 481.10618 | 218.2 |
[M+Na]+ | 503.08812 | 225.1 |
[M-H]- | 479.09162 | 229.5 |
[M+NH4]+ | 498.13272 | 222.7 |
[M+K]+ | 519.06206 | 212.5 |
[M+H-H2O]+ | 463.09616 | 207.9 |
[M+HCOO]- | 525.09710 | 235.3 |
[M+CH3COO]- | 539.11275 | 235.1 |
[M+Na-2H]- | 501.07357 | 224.3 |
[M]+ | 480.09835 | 219.6 |
[M]- | 480.09945 | 219.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.