CID 135568458
115396-48-0
Structural Information
- Molecular Formula
- C17H10ClN3O4
- SMILES
- CC1=C(C=CC2=C1C(=O)C3=C(O2)NC4=C(C=C(C=C4)[N+](=O)[O-])N=C3)Cl
- InChI
- InChI=1S/C17H10ClN3O4/c1-8-11(18)3-5-14-15(8)16(22)10-7-19-13-6-9(21(23)24)2-4-12(13)20-17(10)25-14/h2-7,20H,1H3
- InChIKey
- ZELZABSWCDCPHS-UHFFFAOYSA-N
- Compound name
- 2-chloro-1-methyl-9-nitro-6H-chromeno[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]+ | 356.04326 | 178.9 |
[M+Na]+ | 378.02520 | 190.0 |
[M-H]- | 354.02870 | 184.2 |
[M+NH4]+ | 373.06980 | 190.2 |
[M+K]+ | 393.99914 | 185.6 |
[M+H-H2O]+ | 338.03324 | 175.3 |
[M+HCOO]- | 400.03418 | 191.7 |
[M+CH3COO]- | 414.04983 | 207.6 |
[M+Na-2H]- | 376.01065 | 188.5 |
[M]+ | 355.03543 | 180.0 |
[M]- | 355.03653 | 180.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.