CID 17397716

74811-65-7

Structural Information

Molecular Formula
C15H12N2O5S
SMILES
COC1=CC=CC(=C1O)C(=O)OCC2=NC(=NO2)C3=CC=CS3
InChI
InChI=1S/C15H12N2O5S/c1-20-10-5-2-4-9(13(10)18)15(19)21-8-12-16-14(17-22-12)11-6-3-7-23-11/h2-7,18H,8H2,1H3
InChIKey
VMQXUDMBAREJMC-UHFFFAOYSA-N
Compound name
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-hydroxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05398 171.9
[M+Na]+ 355.03592 182.6
[M-H]- 331.03942 180.8
[M+NH4]+ 350.08052 185.5
[M+K]+ 371.00986 180.5
[M+H-H2O]+ 315.04396 164.9
[M+HCOO]- 377.04490 191.0
[M+CH3COO]- 391.06055 200.6
[M+Na-2H]- 353.02137 171.8
[M]+ 332.04615 181.0
[M]- 332.04725 181.0
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

No patent data available for this compound.