CID 3041390

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

Structural Information

Molecular Formula
C12H13N3O4
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H13N3O4/c1-13-12(16)18-7-10-14-15-11(19-10)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,16)
InChIKey
AOAUADPXIAESJD-UHFFFAOYSA-N
Compound name
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0906 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09788 157.9
[M+Na]+ 286.07982 169.4
[M+NH4]+ 281.12442 163.5
[M+K]+ 302.05376 167.0
[M-H]- 262.08332 160.6
[M+Na-2H]- 284.06527 163.7
[M]+ 263.09005 160.0
[M]- 263.09115 160.0
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.