CID 18156286

N-(1-benzylpyrrolidin-3-yl)-2-fluorobenzamide

Structural Information

Molecular Formula
C18H19FN2O
SMILES
C1CN(CC1NC(=O)C2=CC=CC=C2F)CC3=CC=CC=C3
InChI
InChI=1S/C18H19FN2O/c19-17-9-5-4-8-16(17)18(22)20-15-10-11-21(13-15)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,22)
InChIKey
WPEAODXWXHZRRT-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrrolidin-3-yl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14813 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15541 169.3
[M+Na]+ 321.13735 174.3
[M-H]- 297.14085 175.8
[M+NH4]+ 316.18195 183.9
[M+K]+ 337.11129 169.1
[M+H-H2O]+ 281.14539 159.0
[M+HCOO]- 343.14633 189.7
[M+CH3COO]- 357.16198 179.5
[M+Na-2H]- 319.12280 170.2
[M]+ 298.14758 164.6
[M]- 298.14868 164.6
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.