CID 3004640

Semicarbazide, 1,1-dimethyl-4-(p-(methylthio)phenyl)-3-thio-

Structural Information

Molecular Formula
C10H15N3S2
SMILES
CN(C)NC(=S)NC1=CC=C(C=C1)SC
InChI
InChI=1S/C10H15N3S2/c1-13(2)12-10(14)11-8-4-6-9(15-3)7-5-8/h4-7H,1-3H3,(H2,11,12,14)
InChIKey
SWCJXGNMWSDMRR-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-(4-methylsulfanylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.07074 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07802 150.6
[M+Na]+ 264.05996 156.1
[M-H]- 240.06346 154.9
[M+NH4]+ 259.10456 168.5
[M+K]+ 280.03390 151.9
[M+H-H2O]+ 224.06800 143.1
[M+HCOO]- 286.06894 165.5
[M+CH3COO]- 300.08459 200.6
[M+Na-2H]- 262.04541 152.0
[M]+ 241.07019 151.4
[M]- 241.07129 151.4
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.