CID 980852

N',n'-dibenzyl-n-(4-fluorophenyl)butanediamide

Structural Information

Molecular Formula
C24H23FN2O2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C24H23FN2O2/c25-21-11-13-22(14-12-21)26-23(28)15-16-24(29)27(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-14H,15-18H2,(H,26,28)
InChIKey
PTBOEFVVLIOGTN-UHFFFAOYSA-N
Compound name
N',N'-dibenzyl-N-(4-fluorophenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.17435 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18163 195.5
[M+Na]+ 413.16357 198.1
[M-H]- 389.16707 203.8
[M+NH4]+ 408.20817 205.4
[M+K]+ 429.13751 193.3
[M+H-H2O]+ 373.17161 183.5
[M+HCOO]- 435.17255 217.8
[M+CH3COO]- 449.18820 227.6
[M+Na-2H]- 411.14902 197.0
[M]+ 390.17380 194.4
[M]- 390.17490 194.4
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

No patent data available for this compound.