CID 2759590

4-(2-methoxy-5-methylphenyl)-3-thiosemicarbazide

Structural Information

Molecular Formula
C9H13N3OS
SMILES
CC1=CC(=C(C=C1)OC)NC(=S)NN
InChI
InChI=1S/C9H13N3OS/c1-6-3-4-8(13-2)7(5-6)11-9(14)12-10/h3-5H,10H2,1-2H3,(H2,11,12,14)
InChIKey
DOGCFONJOWBXML-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methoxy-5-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07793 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.085206 144.7
[M+Na]+ 234.067148 151.4
[M-H]- 210.070654 148.2
[M+NH4]+ 229.111753 163.1
[M+K]+ 250.041088 148.1
[M+H-H2O]+ 194.075190 137.9
[M+HCOO]- 256.076131 165.4
[M+CH3COO]- 270.091781 192.4
[M+Na-2H]- 232.052596 147.2
[M]+ 211.07738142 144.0
[M]- 211.07847858 144.0
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

No patent data available for this compound.