CID 3052936

Brn 1012290

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
COC1=CC=C(C=C1)N=C2N(C(=O)CS2)C3=CC=CC=N3
InChI
InChI=1S/C15H13N3O2S/c1-20-12-7-5-11(6-8-12)17-15-18(14(19)10-21-15)13-4-2-3-9-16-13/h2-9H,10H2,1H3
InChIKey
HQMXMVHMOCMUDO-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)imino-3-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07285 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08013 167.2
[M+Na]+ 322.06207 180.6
[M+NH4]+ 317.10667 175.3
[M+K]+ 338.03601 172.9
[M-H]- 298.06557 172.7
[M+Na-2H]- 320.04752 176.0
[M]+ 299.07230 171.1
[M]- 299.07340 171.1
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.