CID 737131

4-(2,4-dimethylphenyl)-3-thiosemicarbazide

Structural Information

Molecular Formula
C9H13N3S
SMILES
CC1=CC(=C(C=C1)NC(=S)NN)C
InChI
InChI=1S/C9H13N3S/c1-6-3-4-8(7(2)5-6)11-9(13)12-10/h3-5H,10H2,1-2H3,(H2,11,12,13)
InChIKey
YTRJQDFRZLKDHZ-UHFFFAOYSA-N
Compound name
1-amino-3-(2,4-dimethylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.08302 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09030 142.5
[M+Na]+ 218.07224 152.0
[M+NH4]+ 213.11684 150.8
[M+K]+ 234.04618 144.5
[M-H]- 194.07574 146.1
[M+Na-2H]- 216.05769 148.1
[M]+ 195.08247 145.0
[M]- 195.08357 145.0
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