CID 5181676

1-phenyl-3-guanylthiourea

Structural Information

Molecular Formula
C8H10N4S
SMILES
C1=CC=C(C=C1)NC(=S)N=C(N)N
InChI
InChI=1S/C8H10N4S/c9-7(10)12-8(13)11-6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12,13)
InChIKey
IKGVILAOZDBXSV-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

194.06262 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06990 140.9
[M+Na]+ 217.05184 148.5
[M+NH4]+ 212.09644 148.6
[M+K]+ 233.02578 142.0
[M-H]- 193.05534 144.5
[M+Na-2H]- 215.03729 146.6
[M]+ 194.06207 142.9
[M]- 194.06317 142.9
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