CID 381977

Nsc669297

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NNC3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2S/c1-13(22)21-16(12-24-18(21)14-8-4-2-5-9-14)17(23)20-19-15-10-6-3-7-11-15/h2-11,16,18-19H,12H2,1H3,(H,20,23)
InChIKey
BLKAUWDHKQFPLR-UHFFFAOYSA-N
Compound name
3-acetyl-N',2-diphenyl-1,3-thiazolidine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 179.2
[M+Na]+ 364.109018 183.7
[M-H]- 340.112524 187.3
[M+NH4]+ 359.153623 192.4
[M+K]+ 380.082958 178.8
[M+H-H2O]+ 324.117060 170.3
[M+HCOO]- 386.118001 196.1
[M+CH3COO]- 400.133651 211.9
[M+Na-2H]- 362.094466 178.4
[M]+ 341.11925142 177.6
[M]- 341.12034858 177.6
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.