CID 135409135

Nsc658799

Structural Information

Molecular Formula
C17H14N2O5S
SMILES
CCOC(=O)CC1=CSC(=N1)/N=C/C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C17H14N2O5S/c1-2-23-14(20)7-10-9-25-17(19-10)18-8-12-15(21)11-5-3-4-6-13(11)24-16(12)22/h3-6,8-9,21H,2,7H2,1H3/b18-8+
InChIKey
HFDRXCHWBDMSBM-QGMBQPNBSA-N
Compound name
ethyl 2-[2-[(E)-(4-hydroxy-2-oxochromen-3-yl)methylideneamino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06235 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06963 180.5
[M+Na]+ 381.05157 191.2
[M-H]- 357.05507 189.0
[M+NH4]+ 376.09617 194.1
[M+K]+ 397.02551 187.8
[M+H-H2O]+ 341.05961 172.9
[M+HCOO]- 403.06055 200.3
[M+CH3COO]- 417.07620 212.2
[M+Na-2H]- 379.03702 183.5
[M]+ 358.06180 190.1
[M]- 358.06290 190.1
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.