CID 135409117

Nsc658488

Structural Information

Molecular Formula
C14H10N2O3S
SMILES
CC1=CSC(=N1)/N=C/C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C14H10N2O3S/c1-8-7-20-14(16-8)15-6-10-12(17)9-4-2-3-5-11(9)19-13(10)18/h2-7,17H,1H3/b15-6+
InChIKey
IMIITILHRAEZCX-GIDUJCDVSA-N
Compound name
4-hydroxy-3-[(E)-(4-methyl-1,3-thiazol-2-yl)iminomethyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0412 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04848 160.9
[M+Na]+ 309.03042 173.8
[M-H]- 285.03392 170.0
[M+NH4]+ 304.07502 178.0
[M+K]+ 325.00436 169.7
[M+H-H2O]+ 269.03846 154.2
[M+HCOO]- 331.03940 182.4
[M+CH3COO]- 345.05505 175.0
[M+Na-2H]- 307.01587 166.0
[M]+ 286.04065 168.3
[M]- 286.04175 168.3
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.