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]+ 301.165906 170.4
[M+Na]+ 323.147848 178.2
[M-H]- 299.151354 178.8
[M+NH4]+ 318.192453 178.1
[M+K]+ 339.121788 173.9
[M+H-H2O]+ 283.155890 161.1
[M+HCOO]- 345.156831 193.5
[M+CH3COO]- 359.172481 209.7
[M+Na-2H]- 321.133296 174.3
[M]+ 300.15808142 174.5
[M]- 300.15917858 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.