CID 3041373

1,3,4-oxadiazole-2-methanol, 5-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C12H14N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CO
InChI
InChI=1S/C12H14N2O5/c1-16-8-4-7(5-9(17-2)11(8)18-3)12-14-13-10(6-15)19-12/h4-5,15H,6H2,1-3H3
InChIKey
VJIYVPXXARQYQV-UHFFFAOYSA-N
Compound name
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.09027 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.097546 155.9
[M+Na]+ 289.079488 166.0
[M-H]- 265.082994 160.5
[M+NH4]+ 284.124093 170.0
[M+K]+ 305.053428 165.4
[M+H-H2O]+ 249.087530 148.0
[M+HCOO]- 311.088471 177.6
[M+CH3COO]- 325.104121 193.9
[M+Na-2H]- 287.064936 160.0
[M]+ 266.08972142 163.5
[M]- 266.09081858 163.5
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.