CID 2413801

84160-41-8

Structural Information

Molecular Formula
C11H10N2O4S
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)O
InChI
InChI=1S/C11H10N2O4S/c1-16-8-4-2-7(3-5-8)10-12-13-11(17-10)18-6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
ZMQTYWWCRZSQQH-UHFFFAOYSA-N
Compound name
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03613 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04341 155.6
[M+Na]+ 289.02535 165.1
[M-H]- 265.02885 160.1
[M+NH4]+ 284.06995 169.9
[M+K]+ 304.99929 163.1
[M+H-H2O]+ 249.03339 148.4
[M+HCOO]- 311.03433 172.0
[M+CH3COO]- 325.04998 190.1
[M+Na-2H]- 287.01080 157.4
[M]+ 266.03558 161.6
[M]- 266.03668 161.6
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

No patent data available for this compound.