CID 3041382

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

Structural Information

Molecular Formula
C12H13N3O5
SMILES
COC1=C(C=C(C=C1)C2=NN=C(O2)COC(=O)N)OC
InChI
InChI=1S/C12H13N3O5/c1-17-8-4-3-7(5-9(8)18-2)11-15-14-10(20-11)6-19-12(13)16/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKey
AGHIJAUAFBNBAC-UHFFFAOYSA-N
Compound name
[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0855 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09278 159.4
[M+Na]+ 302.07472 168.2
[M-H]- 278.07822 164.7
[M+NH4]+ 297.11932 172.7
[M+K]+ 318.04866 168.0
[M+H-H2O]+ 262.08276 150.7
[M+HCOO]- 324.08370 182.3
[M+CH3COO]- 338.09935 199.2
[M+Na-2H]- 300.06017 163.1
[M]+ 279.08495 165.4
[M]- 279.08605 165.4
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.