CID 3088281
Brn 4604328
Structural Information
- Molecular Formula
- C18H15Cl2N5O2S
- SMILES
- CS(=O)(=O)NCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
- InChI
- InChI=1S/C18H15Cl2N5O2S/c1-28(26,27)22-10-17-24-23-16-9-21-18(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)25(16)17/h2-8,22H,9-10H2,1H3
- InChIKey
- NTBANEMUBSKQOJ-UHFFFAOYSA-N
- Compound name
- N-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]methanesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 436.03963 | 199.9 |
[M+Na]+ | 458.02157 | 212.9 |
[M-H]- | 434.02507 | 205.0 |
[M+NH4]+ | 453.06617 | 210.0 |
[M+K]+ | 473.99551 | 209.9 |
[M+H-H2O]+ | 418.02961 | 189.7 |
[M+HCOO]- | 480.03055 | 204.0 |
[M+CH3COO]- | 494.04620 | 208.8 |
[M+Na-2H]- | 456.00702 | 202.8 |
[M]+ | 435.03180 | 204.7 |
[M]- | 435.03290 | 204.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.