CID 3068076

5-thiazolecarboxamide, n,4-dimethyl-2-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)NC
InChI
InChI=1S/C13H14N2O2S/c1-8-11(12(16)14-2)18-13(15-8)9-4-6-10(17-3)7-5-9/h4-7H,1-3H3,(H,14,16)
InChIKey
GPLLJBLZFRBIEX-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.0776 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.084876 158.2
[M+Na]+ 285.066818 167.4
[M-H]- 261.070324 164.8
[M+NH4]+ 280.111423 176.2
[M+K]+ 301.040758 163.8
[M+H-H2O]+ 245.074860 151.1
[M+HCOO]- 307.075801 178.0
[M+CH3COO]- 321.091451 197.0
[M+Na-2H]- 283.052266 158.6
[M]+ 262.07705142 162.6
[M]- 262.07814858 162.6
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

patents stripe