CID 2759508

15093-36-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

194.08777 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.095046 142.8
[M+Na]+ 217.076988 148.1
[M-H]- 193.080494 146.2
[M+NH4]+ 212.121593 162.0
[M+K]+ 233.050928 145.0
[M+H-H2O]+ 177.085030 136.2
[M+HCOO]- 239.085971 161.6
[M+CH3COO]- 253.101621 187.3
[M+Na-2H]- 215.062436 145.5
[M]+ 194.08722142 141.5
[M]- 194.08831858 141.5
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