CID 57331232

Niferidil

Structural Information

Molecular Formula
C22H26FN3O3
SMILES
CCN1CCC(CC1)CC(C2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H26FN3O3/c1-2-25-13-11-16(12-14-25)15-21(17-3-7-19(23)8-4-17)24-22(27)18-5-9-20(10-6-18)26(28)29/h3-10,16,21H,2,11-15H2,1H3,(H,24,27)
InChIKey
STSQHGMNQPXBLZ-UHFFFAOYSA-N
Compound name
N-[2-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)ethyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

399.19583 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20311 195.1
[M+Na]+ 422.18505 195.8
[M-H]- 398.18855 200.4
[M+NH4]+ 417.22965 202.3
[M+K]+ 438.15899 186.9
[M+H-H2O]+ 382.19309 187.7
[M+HCOO]- 444.19403 211.6
[M+CH3COO]- 458.20968 220.1
[M+Na-2H]- 420.17050 195.5
[M]+ 399.19528 187.9
[M]- 399.19638 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe