CID 215197

Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester

Structural Information

Molecular Formula
C13H13NO3S
SMILES
CC1=CSC(=N1)C2=CC(=C(C=C2)OC)C(=O)OC
InChI
InChI=1S/C13H13NO3S/c1-8-7-18-12(14-8)9-4-5-11(16-2)10(6-9)13(15)17-3/h4-7H,1-3H3
InChIKey
NTXFYBSZHPXZEJ-UHFFFAOYSA-N
Compound name
methyl 2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0616 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.068876 157.4
[M+Na]+ 286.050818 167.4
[M-H]- 262.054324 164.1
[M+NH4]+ 281.095423 175.7
[M+K]+ 302.024758 164.6
[M+H-H2O]+ 246.058860 150.7
[M+HCOO]- 308.059801 176.5
[M+CH3COO]- 322.075451 194.1
[M+Na-2H]- 284.036266 157.3
[M]+ 263.06105142 164.0
[M]- 263.06214858 164.0
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