CID 3034493

Semicarbazide, 1,1-dimethyl-4-phenyl-3-thio-

Structural Information

Molecular Formula
C9H13N3S
SMILES
CN(C)NC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C9H13N3S/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,11,13)
InChIKey
IDMWSSMMYXZGQS-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

195.08302 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.090296 141.9
[M+Na]+ 218.072238 147.1
[M-H]- 194.075744 146.7
[M+NH4]+ 213.116843 161.3
[M+K]+ 234.046178 145.1
[M+H-H2O]+ 178.080280 134.6
[M+HCOO]- 240.081221 163.4
[M+CH3COO]- 254.096871 191.9
[M+Na-2H]- 216.057686 146.0
[M]+ 195.08247142 141.3
[M]- 195.08356858 141.3
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