CID 135521746
But-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine
Structural Information
- Molecular Formula
- C13H14ClN3S
- SMILES
- C=CCCN=C1NN=C(CS1)C2=CC=C(C=C2)Cl
- InChI
- InChI=1S/C13H14ClN3S/c1-2-3-8-15-13-17-16-12(9-18-13)10-4-6-11(14)7-5-10/h2,4-7H,1,3,8-9H2,(H,15,17)
- InChIKey
- ZVZPCRKQNRRBOQ-UHFFFAOYSA-N
- Compound name
- N-but-3-enyl-5-(4-chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.06698 | 161.0 |
[M+Na]+ | 302.04892 | 168.7 |
[M-H]- | 278.05242 | 164.4 |
[M+NH4]+ | 297.09352 | 175.4 |
[M+K]+ | 318.02286 | 161.2 |
[M+H-H2O]+ | 262.05696 | 153.0 |
[M+HCOO]- | 324.05790 | 171.8 |
[M+CH3COO]- | 338.07355 | 171.3 |
[M+Na-2H]- | 300.03437 | 163.1 |
[M]+ | 279.05915 | 160.5 |
[M]- | 279.06025 | 160.5 |