CID 736915
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-n-(4-methylphenyl)acetamide
Structural Information
- Molecular Formula
- C13H13ClN2OS
- SMILES
- CC1=CC=C(C=C1)N(C2=NC(=CS2)CCl)C(=O)C
- InChI
- InChI=1S/C13H13ClN2OS/c1-9-3-5-12(6-4-9)16(10(2)17)13-15-11(7-14)8-18-13/h3-6,8H,7H2,1-2H3
- InChIKey
- HXAJBOJONYEPHY-UHFFFAOYSA-N
- Compound name
- N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.05098 | 162.1 |
[M+Na]+ | 303.03292 | 171.4 |
[M-H]- | 279.03642 | 169.7 |
[M+NH4]+ | 298.07752 | 180.7 |
[M+K]+ | 319.00686 | 167.0 |
[M+H-H2O]+ | 263.04096 | 155.3 |
[M+HCOO]- | 325.04190 | 177.5 |
[M+CH3COO]- | 339.05755 | 200.8 |
[M+Na-2H]- | 301.01837 | 161.9 |
[M]+ | 280.04315 | 167.9 |
[M]- | 280.04425 | 167.9 |
Literature stripe
No literature data available for this compound.