CID 25219223

1185299-52-8

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CCCNCC1=NC(=NO1)C2=CC(=CC=C2)C(=O)NC3CC3
InChI
InChI=1S/C16H20N4O2/c1-2-8-17-10-14-19-15(20-22-14)11-4-3-5-12(9-11)16(21)18-13-6-7-13/h3-5,9,13,17H,2,6-8,10H2,1H3,(H,18,21)
InChIKey
RZJFBQKCIDYQEZ-UHFFFAOYSA-N
Compound name
N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15863 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 170.4
[M+Na]+ 323.14785 178.2
[M-H]- 299.15135 178.8
[M+NH4]+ 318.19245 178.1
[M+K]+ 339.12179 173.9
[M+H-H2O]+ 283.15589 161.1
[M+HCOO]- 345.15683 193.5
[M+CH3COO]- 359.17248 209.7
[M+Na-2H]- 321.13330 174.3
[M]+ 300.15808 174.5
[M]- 300.15918 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.