CID 9579026

Nsc689593

Structural Information

Molecular Formula
C19H18N2S2
SMILES
C/C(=C/C(=NC(=S)C1=CC=CC=C1)C)/NC(=S)C2=CC=CC=C2
InChI
InChI=1S/C19H18N2S2/c1-14(20-18(22)16-9-5-3-6-10-16)13-15(2)21-19(23)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,20,22)/b14-13-,21-15?
InChIKey
XXKFUVWRJQQRHO-LQZHIFGDSA-N
Compound name
N-[(Z)-4-(benzenecarbonothioylimino)pent-2-en-2-yl]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09116 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09844 179.5
[M+Na]+ 361.08038 183.2
[M-H]- 337.08388 185.8
[M+NH4]+ 356.12498 193.0
[M+K]+ 377.05432 175.9
[M+H-H2O]+ 321.08842 171.0
[M+HCOO]- 383.08936 191.1
[M+CH3COO]- 397.10501 214.6
[M+Na-2H]- 359.06583 177.8
[M]+ 338.09061 178.3
[M]- 338.09171 178.3
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.