CID 508796

Glutamamide, n1-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-n2-[3-(trifluoromethyl)benzoyl]-

Structural Information

Molecular Formula
C26H30ClF3N4O3
SMILES
C1CN(CCC1CNC(=O)C(CCC(=O)N)NC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H30ClF3N4O3/c27-21-6-4-18(5-7-21)16-34-12-10-17(11-13-34)15-32-25(37)22(8-9-23(31)35)33-24(36)19-2-1-3-20(14-19)26(28,29)30/h1-7,14,17,22H,8-13,15-16H2,(H2,31,35)(H,32,37)(H,33,36)
InChIKey
SBQHQNXUKOKCGT-UHFFFAOYSA-N
Compound name
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethyl)benzoyl]amino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.19586 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.20314 224.6
[M+Na]+ 561.18508 225.1
[M-H]- 537.18858 226.5
[M+NH4]+ 556.22968 227.1
[M+K]+ 577.15902 218.8
[M+H-H2O]+ 521.19312 211.9
[M+HCOO]- 583.19406 231.1
[M+CH3COO]- 597.20971 252.9
[M+Na-2H]- 559.17053 219.5
[M]+ 538.19531 218.3
[M]- 538.19641 218.3
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.