CID 3034214

1-(2,4-dimethylphenyl)-3-methylthiourea

Structural Information

Molecular Formula
C10H14N2S
SMILES
CC1=CC(=C(C=C1)NC(=S)NC)C
InChI
InChI=1S/C10H14N2S/c1-7-4-5-9(8(2)6-7)12-10(13)11-3/h4-6H,1-3H3,(H2,11,12,13)
InChIKey
HZAOAIZJMMTSFN-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

194.08777 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.095046 141.7
[M+Na]+ 217.076988 149.1
[M-H]- 193.080494 145.9
[M+NH4]+ 212.121593 161.7
[M+K]+ 233.050928 145.5
[M+H-H2O]+ 177.085030 135.6
[M+HCOO]- 239.085971 161.6
[M+CH3COO]- 253.101621 188.8
[M+Na-2H]- 215.062436 144.3
[M]+ 194.08722142 141.8
[M]- 194.08831858 141.8
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