CID 1132752

Ethyl 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylate hydrochloride

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CCOC(=O)C1=C(N=C(S1)NCC2=CC=CC=C2)C
InChI
InChI=1S/C14H16N2O2S/c1-3-18-13(17)12-10(2)16-14(19-12)15-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKey
IXYKJISJRXASMF-UHFFFAOYSA-N
Compound name
ethyl 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09326 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.100536 162.8
[M+Na]+ 299.082478 170.7
[M-H]- 275.085984 168.8
[M+NH4]+ 294.127083 179.9
[M+K]+ 315.056418 166.9
[M+H-H2O]+ 259.090520 155.2
[M+HCOO]- 321.091461 182.3
[M+CH3COO]- 335.107111 198.8
[M+Na-2H]- 297.067926 163.4
[M]+ 276.09271142 167.1
[M]- 276.09380858 167.1
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.