CID 25256866

Nat1 compound

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
COC1=CC=C(C=C1)C2N(C(=O)CS2)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H15N3O3S/c1-22-13-6-4-11(5-7-13)16-19(14(20)10-23-16)18-15(21)12-3-2-8-17-9-12/h2-9,16H,10H2,1H3,(H,18,21)
InChIKey
FHEKGARVWDHLFR-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.0834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.090676 174.4
[M+Na]+ 352.072618 181.7
[M-H]- 328.076124 182.0
[M+NH4]+ 347.117223 187.4
[M+K]+ 368.046558 177.1
[M+H-H2O]+ 312.080660 165.4
[M+HCOO]- 374.081601 191.0
[M+CH3COO]- 388.097251 206.7
[M+Na-2H]- 350.058066 174.2
[M]+ 329.08285142 175.7
[M]- 329.08394858 175.7
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.