CID 215991

Brn 1082572

Structural Information

Molecular Formula
C15H13N3OS
SMILES
CC1=CC=CC=C1N=C2N(C(=O)CS2)C3=CC=CC=N3
InChI
InChI=1S/C15H13N3OS/c1-11-6-2-3-7-12(11)17-15-18(14(19)10-20-15)13-8-4-5-9-16-13/h2-9H,10H2,1H3
InChIKey
FQGKXGSAJBOGBF-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)imino-3-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07794 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08522 164.0
[M+Na]+ 306.06716 173.2
[M-H]- 282.07066 173.0
[M+NH4]+ 301.11176 179.9
[M+K]+ 322.04110 167.9
[M+H-H2O]+ 266.07520 155.0
[M+HCOO]- 328.07614 183.0
[M+CH3COO]- 342.09179 176.2
[M+Na-2H]- 304.05261 165.1
[M]+ 283.07739 164.5
[M]- 283.07849 164.5
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.