CID 732361

177957-47-0

Structural Information

Molecular Formula
C14H13FN2O3S
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H13FN2O3S/c1-2-20-12(18)7-11-8-21-14(16-11)17-13(19)9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17,19)
InChIKey
ZBUOVAQYTXOIPF-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

308.06308 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07036 168.0
[M+Na]+ 331.05230 175.6
[M-H]- 307.05580 172.7
[M+NH4]+ 326.09690 183.5
[M+K]+ 347.02624 171.9
[M+H-H2O]+ 291.06034 159.4
[M+HCOO]- 353.06128 185.8
[M+CH3COO]- 367.07693 202.9
[M+Na-2H]- 329.03775 167.2
[M]+ 308.06253 171.3
[M]- 308.06363 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.