CID 3066785
111218-75-8
Structural Information
- Molecular Formula
- C17H14ClN7O6
- SMILES
- C1CN(CCN1C2=NC3=C(C(=C(C=C3C(=N2)N)[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)C4=CC=CO4
- InChI
- InChI=1S/C17H14ClN7O6/c18-12-10(24(27)28)8-9-13(14(12)25(29)30)20-17(21-15(9)19)23-5-3-22(4-6-23)16(26)11-2-1-7-31-11/h1-2,7-8H,3-6H2,(H2,19,20,21)
- InChIKey
- MAAPNJREWZCIGO-UHFFFAOYSA-N
- Compound name
- [4-(4-amino-7-chloro-6,8-dinitroquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 448.07668 | 198.3 |
[M+Na]+ | 470.05862 | 201.8 |
[M-H]- | 446.06212 | 204.2 |
[M+NH4]+ | 465.10322 | 200.4 |
[M+K]+ | 486.03256 | 190.0 |
[M+H-H2O]+ | 430.06666 | 195.5 |
[M+HCOO]- | 492.06760 | 210.0 |
[M+CH3COO]- | 506.08325 | 218.5 |
[M+Na-2H]- | 468.04407 | 205.4 |
[M]+ | 447.06885 | 195.2 |
[M]- | 447.06995 | 195.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.