CID 3049450

5-thiazolecarboxamide, 2,3-dihydro-4-amino-n-phenyl-3-(phenylmethyl)-2-thioxo-, hydrate

Structural Information

Molecular Formula
C17H15N3OS2
SMILES
C1=CC=C(C=C1)CN2C(=C(SC2=S)C(=O)NC3=CC=CC=C3)N
InChI
InChI=1S/C17H15N3OS2/c18-15-14(16(21)19-13-9-5-2-6-10-13)23-17(22)20(15)11-12-7-3-1-4-8-12/h1-10H,11,18H2,(H,19,21)
InChIKey
AHSWWJMRJVOQCM-UHFFFAOYSA-N
Compound name
4-amino-3-benzyl-N-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.06564 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07292 176.0
[M+Na]+ 364.05486 184.9
[M-H]- 340.05836 184.4
[M+NH4]+ 359.09946 190.0
[M+K]+ 380.02880 176.7
[M+H-H2O]+ 324.06290 168.2
[M+HCOO]- 386.06384 190.8
[M+CH3COO]- 400.07949 186.6
[M+Na-2H]- 362.04031 175.4
[M]+ 341.06509 176.6
[M]- 341.06619 176.6
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.