CID 209210

19475-22-0

Structural Information

Molecular Formula
C16H18N2O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)SC
InChI
InChI=1S/C16H18N2O2S2/c1-13-8-10-15(11-9-13)22(19,20)18-16(21-2)17-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,18)
InChIKey
JNMOJFMWTDEKRP-UHFFFAOYSA-N
Compound name
methyl N'-benzyl-N-(4-methylphenyl)sulfonylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08824 176.2
[M+Na]+ 357.07018 182.6
[M-H]- 333.07368 183.3
[M+NH4]+ 352.11478 190.4
[M+K]+ 373.04412 176.3
[M+H-H2O]+ 317.07822 167.9
[M+HCOO]- 379.07916 190.8
[M+CH3COO]- 393.09481 210.4
[M+Na-2H]- 355.05563 179.2
[M]+ 334.08041 178.8
[M]- 334.08151 178.8
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.