CID 737138

3-amino-1-(4-methoxyphenyl)thiourea

Structural Information

Molecular Formula
C8H11N3OS
SMILES
COC1=CC=C(C=C1)NC(=S)NN
InChI
InChI=1S/C8H11N3OS/c1-12-7-4-2-6(3-5-7)10-8(13)11-9/h2-5H,9H2,1H3,(H2,10,11,13)
InChIKey
XFTUQILJEQYQHK-UHFFFAOYSA-N
Compound name
1-amino-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

197.06229 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06957 140.0
[M+Na]+ 220.05151 146.3
[M-H]- 196.05501 143.3
[M+NH4]+ 215.09611 158.6
[M+K]+ 236.02545 143.1
[M+H-H2O]+ 180.05955 133.1
[M+HCOO]- 242.06049 161.0
[M+CH3COO]- 256.07614 188.2
[M+Na-2H]- 218.03696 143.7
[M]+ 197.06174 138.6
[M]- 197.06284 138.6
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