CID 8015374

109688-84-8

Structural Information

Molecular Formula
C14H16N2O3S
SMILES
CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C14H16N2O3S/c1-4-19-13(17)12-9(2)15-14(20-12)16-10-5-7-11(18-3)8-6-10/h5-8H,4H2,1-3H3,(H,15,16)
InChIKey
ZFIMRNUTFJMLAF-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

292.08817 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09545 165.8
[M+Na]+ 315.07739 174.3
[M-H]- 291.08089 172.2
[M+NH4]+ 310.12199 182.4
[M+K]+ 331.05133 171.1
[M+H-H2O]+ 275.08543 158.3
[M+HCOO]- 337.08637 185.5
[M+CH3COO]- 351.10202 202.0
[M+Na-2H]- 313.06284 165.9
[M]+ 292.08762 171.9
[M]- 292.08872 171.9
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

patents stripe