CID 508879

2-amino-4,5-difluoro-n-[2-[[1-[(4-hydroxyphenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C22H26F2N4O3
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=C(C=C2N)F)F)CC3=CC=C(C=C3)O
InChI
InChI=1S/C22H26F2N4O3/c23-18-9-17(20(25)10-19(18)24)22(31)27-12-21(30)26-11-14-5-7-28(8-6-14)13-15-1-3-16(29)4-2-15/h1-4,9-10,14,29H,5-8,11-13,25H2,(H,26,30)(H,27,31)
InChIKey
LOFDLUFRCKUZRW-UHFFFAOYSA-N
Compound name
2-amino-4,5-difluoro-N-[2-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.1973 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.20458 202.7
[M+Na]+ 455.18652 205.4
[M-H]- 431.19002 205.7
[M+NH4]+ 450.23112 208.6
[M+K]+ 471.16046 199.7
[M+H-H2O]+ 415.19456 190.2
[M+HCOO]- 477.19550 217.7
[M+CH3COO]- 491.21115 235.1
[M+Na-2H]- 453.17197 199.4
[M]+ 432.19675 194.8
[M]- 432.19785 194.8
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.