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]+ 264.06888 157.4
[M+Na]+ 286.05082 167.4
[M-H]- 262.05432 164.1
[M+NH4]+ 281.09542 175.7
[M+K]+ 302.02476 164.6
[M+H-H2O]+ 246.05886 150.7
[M+HCOO]- 308.05980 176.5
[M+CH3COO]- 322.07545 194.1
[M+Na-2H]- 284.03627 157.3
[M]+ 263.06105 164.0
[M]- 263.06215 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