CID 736992

4-(2-methoxyphenyl)-3-thiosemicarbazide

Structural Information

Molecular Formula
C8H11N3OS
SMILES
COC1=CC=CC=C1NC(=S)NN
InChI
InChI=1S/C8H11N3OS/c1-12-7-5-3-2-4-6(7)10-8(13)11-9/h2-5H,9H2,1H3,(H2,10,11,13)
InChIKey
ZZRBYYMDUDFTNR-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

197.06229 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06957 140.9
[M+Na]+ 220.05151 149.7
[M+NH4]+ 215.09611 148.8
[M+K]+ 236.02545 142.9
[M-H]- 196.05501 144.0
[M+Na-2H]- 218.03696 146.5
[M]+ 197.06174 143.1
[M]- 197.06284 143.1
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