CID 3033544

Di-o-tolyl vinylenebis(thiocarbamate)

Structural Information

Molecular Formula
C18H18N2O2S2
SMILES
CC1=CC=CC=C1SC(=O)N/C=C/NC(=O)SC2=CC=CC=C2C
InChI
InChI=1S/C18H18N2O2S2/c1-13-7-3-5-9-15(13)23-17(21)19-11-12-20-18(22)24-16-10-6-4-8-14(16)2/h3-12H,1-2H3,(H,19,21)(H,20,22)/b12-11+
InChIKey
GIIAJJGRNGCNOP-VAWYXSNFSA-N
Compound name
S-(2-methylphenyl) N-[(E)-2-[(2-methylphenyl)sulfanylcarbonylamino]ethenyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.08096 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.08824 182.2
[M+Na]+ 381.07018 187.5
[M-H]- 357.07368 187.8
[M+NH4]+ 376.11478 194.8
[M+K]+ 397.04412 180.1
[M+H-H2O]+ 341.07822 173.8
[M+HCOO]- 403.07916 195.0
[M+CH3COO]- 417.09481 214.1
[M+Na-2H]- 379.05563 181.7
[M]+ 358.08041 183.9
[M]- 358.08151 183.9
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.