CID 3052935

Brn 1016913

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
COC1=CC=CC=C1N=C2N(C(=O)CS2)C3=CC=CC=N3
InChI
InChI=1S/C15H13N3O2S/c1-20-12-7-3-2-6-11(12)17-15-18(14(19)10-21-15)13-8-4-5-9-16-13/h2-9H,10H2,1H3
InChIKey
PBTGAFVBZVCXBZ-UHFFFAOYSA-N
Compound name
2-(2-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 176.1
[M-H]- 298.06557 176.2
[M+NH4]+ 317.10667 182.3
[M+K]+ 338.03601 171.4
[M+H-H2O]+ 282.07011 158.0
[M+HCOO]- 344.07105 186.4
[M+CH3COO]- 358.08670 179.1
[M+Na-2H]- 320.04752 168.4
[M]+ 299.07230 169.1
[M]- 299.07340 169.1
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.