CID 3056182

1,3,4-oxadiazol-2(3h)-one, 3-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C12H14N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)O2)CO
InChI
InChI=1S/C12H14N2O6/c1-17-8-4-7(5-9(18-2)10(8)19-3)11-13-14(6-15)12(16)20-11/h4-5,15H,6H2,1-3H3
InChIKey
QINJPKWZPVLACQ-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08517 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09245 157.5
[M+Na]+ 305.07439 168.6
[M-H]- 281.07789 162.6
[M+NH4]+ 300.11899 171.1
[M+K]+ 321.04833 168.1
[M+H-H2O]+ 265.08243 149.8
[M+HCOO]- 327.08337 179.6
[M+CH3COO]- 341.09902 196.8
[M+Na-2H]- 303.05984 161.1
[M]+ 282.08462 166.3
[M]- 282.08572 166.3
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.