CID 4694540

Methyl 3-(p-toluoyl)-dithiocarbazate

Structural Information

Molecular Formula
C10H12N2OS2
SMILES
CC1=CC=C(C=C1)C(=O)NNC(=S)SC
InChI
InChI=1S/C10H12N2OS2/c1-7-3-5-8(6-4-7)9(13)11-12-10(14)15-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKey
OOYGMVCTKHHBOP-UHFFFAOYSA-N
Compound name
methyl N-[(4-methylbenzoyl)amino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03911 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04639 150.6
[M+Na]+ 263.02833 156.8
[M-H]- 239.03183 153.7
[M+NH4]+ 258.07293 168.2
[M+K]+ 279.00227 151.7
[M+H-H2O]+ 223.03637 143.8
[M+HCOO]- 285.03731 163.7
[M+CH3COO]- 299.05296 193.0
[M+Na-2H]- 261.01378 151.0
[M]+ 240.03856 150.9
[M]- 240.03966 150.9
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.