CID 97046814

Cyanomethyl diphenylcarbamodithioate

Structural Information

Molecular Formula
C15H12N2S2
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)SCC#N
InChI
InChI=1S/C15H12N2S2/c16-11-12-19-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2
InChIKey
MYKFCCXEAFCDMK-UHFFFAOYSA-N
Compound name
cyanomethyl N,N-diphenylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

284.0442 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05148 174.7
[M+Na]+ 307.03342 183.9
[M-H]- 283.03692 181.5
[M+NH4]+ 302.07802 189.7
[M+K]+ 323.00736 177.6
[M+H-H2O]+ 267.04146 160.9
[M+HCOO]- 329.04240 185.2
[M+CH3COO]- 343.05805 184.1
[M+Na-2H]- 305.01887 175.2
[M]+ 284.04365 171.0
[M]- 284.04475 171.0
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

patents stripe