CID 2760408

1-phenyl-3-propyl-2-thiourea

Structural Information

Molecular Formula
C10H14N2S
SMILES
CCCNC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C10H14N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13)
InChIKey
HZPCVTKJHKWEDX-UHFFFAOYSA-N
Compound name
1-phenyl-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

194.08777 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09505 142.0
[M+Na]+ 217.07699 147.6
[M-H]- 193.08049 145.3
[M+NH4]+ 212.12159 161.3
[M+K]+ 233.05093 144.0
[M+H-H2O]+ 177.08503 135.3
[M+HCOO]- 239.08597 161.9
[M+CH3COO]- 253.10162 186.5
[M+Na-2H]- 215.06244 145.9
[M]+ 194.08722 141.3
[M]- 194.08832 141.3
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