CID 4090937
N-(3-acetyl-phenyl)-n'-allyl-thiourea
Structural Information
- Molecular Formula
- C12H14N2OS
- SMILES
- CC(=O)C1=CC(=CC=C1)NC(=S)NCC=C
- InChI
- InChI=1S/C12H14N2OS/c1-3-7-13-12(16)14-11-6-4-5-10(8-11)9(2)15/h3-6,8H,1,7H2,2H3,(H2,13,14,16)
- InChIKey
- WRHAGJCMAVKAIL-UHFFFAOYSA-N
- Compound name
- 1-(3-acetylphenyl)-3-prop-2-enylthiourea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 235.08997 | 154.2 |
[M+Na]+ | 257.07191 | 163.6 |
[M+NH4]+ | 252.11651 | 161.5 |
[M+K]+ | 273.04585 | 155.7 |
[M-H]- | 233.07541 | 156.5 |
[M+Na-2H]- | 255.05736 | 159.1 |
[M]+ | 234.08214 | 156.3 |
[M]- | 234.08324 | 156.3 |
Literature stripe
No literature data available for this compound.