CID 1549745

1-allyl-3-phenyl-2-thiourea

Structural Information

Molecular Formula
C10H12N2S
SMILES
C=CCNC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C10H12N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,11,12,13)
InChIKey
RJTICPGQFMYYEG-UHFFFAOYSA-N
Compound name
1-phenyl-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

59
Patents

192.07211 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.079386 141.2
[M+Na]+ 215.061328 147.1
[M-H]- 191.064834 144.6
[M+NH4]+ 210.105933 160.5
[M+K]+ 231.035268 142.8
[M+H-H2O]+ 175.069370 134.6
[M+HCOO]- 237.070311 161.3
[M+CH3COO]- 251.085961 185.6
[M+Na-2H]- 213.046776 145.1
[M]+ 192.07156142 139.8
[M]- 192.07265858 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe