CID 135398502
6-nitro-3,4-dihydroquinazolin-4-one
Structural Information
- Molecular Formula
- C8H5N3O3
- SMILES
- C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC=N2
- InChI
- InChI=1S/C8H5N3O3/c12-8-6-3-5(11(13)14)1-2-7(6)9-4-10-8/h1-4H,(H,9,10,12)
- InChIKey
- MOBNCKURXDGQCB-UHFFFAOYSA-N
- Compound name
- 6-nitro-3H-quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 192.04038 | 133.0 |
[M+Na]+ | 214.02232 | 142.4 |
[M-H]- | 190.02582 | 134.4 |
[M+NH4]+ | 209.06692 | 149.5 |
[M+K]+ | 229.99626 | 134.9 |
[M+H-H2O]+ | 174.03036 | 130.5 |
[M+HCOO]- | 236.03130 | 155.2 |
[M+CH3COO]- | 250.04695 | 173.2 |
[M+Na-2H]- | 212.00777 | 144.8 |
[M]+ | 191.03255 | 130.8 |
[M]- | 191.03365 | 130.8 |