CID 2731118

N-(2,4,6-trimethylphenyl)thiourea

Structural Information

Molecular Formula
C10H14N2S
SMILES
CC1=CC(=C(C(=C1)C)NC(=S)N)C
InChI
InChI=1S/C10H14N2S/c1-6-4-7(2)9(8(3)5-6)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13)
InChIKey
LBUGQLLKHAHCJJ-UHFFFAOYSA-N
Compound name
(2,4,6-trimethylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

85
Patents

194.08777 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09505 141.7
[M+Na]+ 217.07699 149.9
[M-H]- 193.08049 145.6
[M+NH4]+ 212.12159 161.6
[M+K]+ 233.05093 145.9
[M+H-H2O]+ 177.08503 135.7
[M+HCOO]- 239.08597 160.8
[M+CH3COO]- 253.10162 190.0
[M+Na-2H]- 215.06244 142.5
[M]+ 194.08722 141.2
[M]- 194.08832 141.2
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