CID 465110

Chembl61423

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CCCN(C)C(=O)OC1=NON=C1C2=CC=CC=C2
InChI
InChI=1S/C13H15N3O3/c1-3-9-16(2)13(17)18-12-11(14-19-15-12)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKey
AZEBZKHBYAXLDW-UHFFFAOYSA-N
Compound name
(4-phenyl-1,2,5-oxadiazol-3-yl) N-methyl-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11133 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 158.8
[M+Na]+ 284.10055 165.9
[M-H]- 260.10405 165.1
[M+NH4]+ 279.14515 173.4
[M+K]+ 300.07449 166.0
[M+H-H2O]+ 244.10859 149.6
[M+HCOO]- 306.10953 182.1
[M+CH3COO]- 320.12518 198.6
[M+Na-2H]- 282.08600 163.4
[M]+ 261.11078 163.6
[M]- 261.11188 163.6
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.