CID 3041383

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

Structural Information

Molecular Formula
C13H15N3O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)N
InChI
InChI=1S/C13H15N3O6/c1-18-8-4-7(5-9(19-2)11(8)20-3)12-16-15-10(22-12)6-21-13(14)17/h4-5H,6H2,1-3H3,(H2,14,17)
InChIKey
NKSKXDHVMLSWAS-UHFFFAOYSA-N
Compound name
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0961 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10338 166.4
[M+Na]+ 332.08532 175.3
[M-H]- 308.08882 171.9
[M+NH4]+ 327.12992 178.6
[M+K]+ 348.05926 175.6
[M+H-H2O]+ 292.09336 157.6
[M+HCOO]- 354.09430 189.1
[M+CH3COO]- 368.10995 205.7
[M+Na-2H]- 330.07077 169.0
[M]+ 309.09555 174.5
[M]- 309.09665 174.5
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.