CID 3086356
Benzenepropanamine, n-(4-((dichloro-2-benzothiazolyl)azo)phenyl)-n-methyl-
Structural Information
- Molecular Formula
- C23H20Cl2N4S
- SMILES
- CN(CCCC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC4=CC(=C(C=C4S3)Cl)Cl
- InChI
- InChI=1S/C23H20Cl2N4S/c1-29(13-5-8-16-6-3-2-4-7-16)18-11-9-17(10-12-18)27-28-23-26-21-14-19(24)20(25)15-22(21)30-23/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3
- InChIKey
- VCTPQXYCVZZODD-UHFFFAOYSA-N
- Compound name
- 4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-methyl-N-(3-phenylpropyl)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 455.08586 | 209.4 |
[M+Na]+ | 477.06780 | 219.5 |
[M-H]- | 453.07130 | 222.0 |
[M+NH4]+ | 472.11240 | 222.8 |
[M+K]+ | 493.04174 | 211.6 |
[M+H-H2O]+ | 437.07584 | 199.5 |
[M+HCOO]- | 499.07678 | 224.3 |
[M+CH3COO]- | 513.09243 | 219.7 |
[M+Na-2H]- | 475.05325 | 211.3 |
[M]+ | 454.07803 | 220.1 |
[M]- | 454.07913 | 220.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.