CID 3087620
(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6h)-one, 6-ethyl-2-methyl-9-nitro-
Structural Information
- Molecular Formula
- C19H15N3O4
- SMILES
- CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=CC3=C1OC4=C(C3=O)C=C(C=C4)C
- InChI
- InChI=1S/C19H15N3O4/c1-3-21-16-6-5-12(22(24)25)9-15(16)20-10-14-18(23)13-8-11(2)4-7-17(13)26-19(14)21/h4-10H,3H2,1-2H3
- InChIKey
- AQKOBKHVWAZXEE-UHFFFAOYSA-N
- Compound name
- 6-ethyl-2-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 350.11354 | 182.4 |
[M+Na]+ | 372.09548 | 191.9 |
[M-H]- | 348.09898 | 189.2 |
[M+NH4]+ | 367.14008 | 193.6 |
[M+K]+ | 388.06942 | 188.6 |
[M+H-H2O]+ | 332.10352 | 178.0 |
[M+HCOO]- | 394.10446 | 200.0 |
[M+CH3COO]- | 408.12011 | 212.1 |
[M+Na-2H]- | 370.08093 | 191.6 |
[M]+ | 349.10571 | 183.4 |
[M]- | 349.10681 | 183.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.