CID 137241419

Opb-9195

Structural Information

Molecular Formula
C14H16N4O2S
SMILES
CC(=N/N=C\1/NC(=O)C(S1)CC(=O)NC2=CC=CC=C2)C
InChI
InChI=1S/C14H16N4O2S/c1-9(2)17-18-14-16-13(20)11(21-14)8-12(19)15-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKey
MUGOTNWCTZMBLV-UHFFFAOYSA-N
Compound name
2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

0
Patents

304.0994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10668 170.6
[M+Na]+ 327.08862 177.6
[M+NH4]+ 322.13322 176.5
[M+K]+ 343.06256 172.6
[M-H]- 303.09212 173.4
[M+Na-2H]- 325.07407 174.9
[M]+ 304.09885 172.2
[M]- 304.09995 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.