CID 44156976
Jnk inhibitor xi
Structural Information
- Molecular Formula
- C10H5N3O2S3
- SMILES
- C1=CC=C2C(=C1)N=C(S2)SC3=NC=C(S3)[N+](=O)[O-]
- InChI
- InChI=1S/C10H5N3O2S3/c14-13(15)8-5-11-9(17-8)18-10-12-6-3-1-2-4-7(6)16-10/h1-5H
- InChIKey
- UHBFMJAKLZGVDS-UHFFFAOYSA-N
- Compound name
- 2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 295.96166 | 158.0 |
[M+Na]+ | 317.94360 | 169.8 |
[M-H]- | 293.94710 | 164.2 |
[M+NH4]+ | 312.98820 | 175.5 |
[M+K]+ | 333.91754 | 159.7 |
[M+H-H2O]+ | 277.95164 | 157.2 |
[M+HCOO]- | 339.95258 | 169.0 |
[M+CH3COO]- | 353.96823 | 191.0 |
[M+Na-2H]- | 315.92905 | 161.7 |
[M]+ | 294.95383 | 160.0 |
[M]- | 294.95493 | 160.0 |