CID 47002226
[amino(thiophen-2-yl)methylidene]amino 4-chlorobutanoate
Structural Information
- Molecular Formula
- C9H11ClN2O2S
- SMILES
- C1=CSC(=C1)/C(=N/OC(=O)CCCCl)/N
- InChI
- InChI=1S/C9H11ClN2O2S/c10-5-1-4-8(13)14-12-9(11)7-3-2-6-15-7/h2-3,6H,1,4-5H2,(H2,11,12)
- InChIKey
- GZVDRZSHXMCMKH-UHFFFAOYSA-N
- Compound name
- [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4-chlorobutanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 247.03026 | 154.7 |
[M+Na]+ | 269.01220 | 161.6 |
[M-H]- | 245.01570 | 159.2 |
[M+NH4]+ | 264.05680 | 174.8 |
[M+K]+ | 284.98614 | 158.1 |
[M+H-H2O]+ | 229.02024 | 148.9 |
[M+HCOO]- | 291.02118 | 171.7 |
[M+CH3COO]- | 305.03683 | 193.2 |
[M+Na-2H]- | 266.99765 | 154.8 |
[M]+ | 246.02243 | 158.8 |
[M]- | 246.02353 | 158.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.