CID 11980060
Piperazine 1,4-bis(4-(2-(3,5-dinitrophenyl)-4-oxo-3(4h)-quinazolinyl)benzoate)
Structural Information
- Molecular Formula
- C21H12N4O7
- SMILES
- C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O
- InChI
- InChI=1S/C21H12N4O7/c26-20-17-3-1-2-4-18(17)22-19(23(20)14-7-5-12(6-8-14)21(27)28)13-9-15(24(29)30)11-16(10-13)25(31)32/h1-11H,(H,27,28)
- InChIKey
- WFHDSQVUNSOERH-UHFFFAOYSA-N
- Compound name
- 4-[2-(3,5-dinitrophenyl)-4-oxoquinazolin-3-yl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 433.07788 | 196.3 |
[M+Na]+ | 455.05982 | 200.4 |
[M-H]- | 431.06332 | 203.3 |
[M+NH4]+ | 450.10442 | 199.8 |
[M+K]+ | 471.03376 | 187.7 |
[M+H-H2O]+ | 415.06786 | 192.6 |
[M+HCOO]- | 477.06880 | 214.8 |
[M+CH3COO]- | 491.08445 | 215.6 |
[M+Na-2H]- | 453.04527 | 204.7 |
[M]+ | 432.07005 | 193.4 |
[M]- | 432.07115 | 193.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.