CID 135442832

Nsc658333

Structural Information

Molecular Formula
C19H19N3O2S
SMILES
CC1=CC=CC=C1NC(=O)/C(=C(/C)\O)/C=N/C(=S)NC2=CC=CC=C2
InChI
InChI=1S/C19H19N3O2S/c1-13-8-6-7-11-17(13)22-18(24)16(14(2)23)12-20-19(25)21-15-9-4-3-5-10-15/h3-12,23H,1-2H3,(H,21,25)(H,22,24)/b16-14-,20-12+
InChIKey
WJTASNVMIXMJIH-UJCMJIBISA-N
Compound name
(Z)-3-hydroxy-N-(2-methylphenyl)-2-[(E)-phenylcarbamothioyliminomethyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1198 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.127076 185.1
[M+Na]+ 376.109018 187.9
[M-H]- 352.112524 190.9
[M+NH4]+ 371.153623 196.9
[M+K]+ 392.082958 182.7
[M+H-H2O]+ 336.117060 176.2
[M+HCOO]- 398.118001 202.5
[M+CH3COO]- 412.133651 218.0
[M+Na-2H]- 374.094466 184.4
[M]+ 353.11925142 183.5
[M]- 353.12034858 183.5
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.