CID 3735704

331454-84-3

Structural Information

Molecular Formula
C19H18N2O4S
SMILES
CCOC(=O)C1=C(SC(=N1)NC(=O)COC2=CC=CC3=CC=CC=C32)C
InChI
InChI=1S/C19H18N2O4S/c1-3-24-18(23)17-12(2)26-19(21-17)20-16(22)11-25-15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11H2,1-2H3,(H,20,21,22)
InChIKey
OHGXCKFKGFUMGP-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.09872 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10600 186.1
[M+Na]+ 393.08794 194.3
[M-H]- 369.09144 193.2
[M+NH4]+ 388.13254 200.1
[M+K]+ 409.06188 190.2
[M+H-H2O]+ 353.09598 178.0
[M+HCOO]- 415.09692 204.6
[M+CH3COO]- 429.11257 215.9
[M+Na-2H]- 391.07339 187.2
[M]+ 370.09817 194.2
[M]- 370.09927 194.2
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.