CID 1181178

(e)-ethyl 2-(2-(3-(2,4-dichlorophenyl)acrylamido)thiazol-4-yl)acetate

Structural Information

Molecular Formula
C16H14Cl2N2O3S
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O3S/c1-2-23-15(22)8-12-9-24-16(19-12)20-14(21)6-4-10-3-5-11(17)7-13(10)18/h3-7,9H,2,8H2,1H3,(H,19,20,21)/b6-4+
InChIKey
OFIYJLGJAJCGHR-GQCTYLIASA-N
Compound name
ethyl 2-[2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.01022 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.01750 186.0
[M+Na]+ 406.99944 194.7
[M-H]- 383.00294 191.5
[M+NH4]+ 402.04404 200.0
[M+K]+ 422.97338 187.8
[M+H-H2O]+ 367.00748 179.8
[M+HCOO]- 429.00842 194.6
[M+CH3COO]- 443.02407 213.7
[M+Na-2H]- 404.98489 183.0
[M]+ 384.00967 193.6
[M]- 384.01077 193.6
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.