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

compound 2d structure
1
Annotation Hits

0
References

3
Patents

234.08269 Da
Monoisotopic Mass

1.9
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe