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]+ 212.08521 144.7
[M+Na]+ 234.06715 151.4
[M-H]- 210.07065 148.2
[M+NH4]+ 229.11175 163.1
[M+K]+ 250.04109 148.1
[M+H-H2O]+ 194.07519 137.9
[M+HCOO]- 256.07613 165.4
[M+CH3COO]- 270.09178 192.4
[M+Na-2H]- 232.05260 147.2
[M]+ 211.07738 144.0
[M]- 211.07848 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.