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 156.8
[M+Na]+ 286.07982 164.9
[M-H]- 262.08332 162.1
[M+NH4]+ 281.12442 170.8
[M+K]+ 302.05376 164.4
[M+H-H2O]+ 246.08786 148.0
[M+HCOO]- 308.08880 180.1
[M+CH3COO]- 322.10445 195.6
[M+Na-2H]- 284.06527 162.0
[M]+ 263.09005 161.8
[M]- 263.09115 161.8
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.