CID 3041391

1,3,4-oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, methylcarbamate (ester)

Structural Information

Molecular Formula
C13H15N3O5
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C13H15N3O5/c1-14-13(17)20-7-11-15-16-12(21-11)8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H,14,17)
InChIKey
JWVPSTVRBIIONG-UHFFFAOYSA-N
Compound name
[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.10117 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.108446 163.9
[M+Na]+ 316.090388 172.3
[M-H]- 292.093894 169.5
[M+NH4]+ 311.134993 176.9
[M+K]+ 332.064328 172.2
[M+H-H2O]+ 276.098430 155.0
[M+HCOO]- 338.099371 187.1
[M+CH3COO]- 352.115021 202.0
[M+Na-2H]- 314.075836 168.0
[M]+ 293.10062142 171.1
[M]- 293.10171858 171.1
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.