CID 508795

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

Structural Information

Molecular Formula
C26H30ClF3N4O4
SMILES
C1CN(CCC1CNC(=O)C(CCC(=O)N)NC(=O)C2=CC(=CC=C2)OC(F)(F)F)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H30ClF3N4O4/c27-20-6-4-18(5-7-20)16-34-12-10-17(11-13-34)15-32-25(37)22(8-9-23(31)35)33-24(36)19-2-1-3-21(14-19)38-26(28,29)30/h1-7,14,17,22H,8-13,15-16H2,(H2,31,35)(H,32,37)(H,33,36)
InChIKey
MWQWTOSXYUWAEG-UHFFFAOYSA-N
Compound name
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[[3-(trifluoromethoxy)benzoyl]amino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.1908 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.19808 226.2
[M+Na]+ 577.18002 226.5
[M-H]- 553.18352 228.1
[M+NH4]+ 572.22462 228.0
[M+K]+ 593.15396 221.1
[M+H-H2O]+ 537.18806 213.4
[M+HCOO]- 599.18900 233.0
[M+CH3COO]- 613.20465 255.1
[M+Na-2H]- 575.16547 221.6
[M]+ 554.19025 221.4
[M]- 554.19135 221.4
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.