CID 508816

Glutamamide, n1-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-n2-(3,4,5-triethoxybenzoyl)-

Structural Information

Molecular Formula
C31H43ClN4O6
SMILES
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(CCC(=O)N)C(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C31H43ClN4O6/c1-4-40-26-17-23(18-27(41-5-2)29(26)42-6-3)30(38)35-25(11-12-28(33)37)31(39)34-19-21-13-15-36(16-14-21)20-22-7-9-24(32)10-8-22/h7-10,17-18,21,25H,4-6,11-16,19-20H2,1-3H3,(H2,33,37)(H,34,39)(H,35,38)
InChIKey
NWNHVAADVXEODL-UHFFFAOYSA-N
Compound name
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(3,4,5-triethoxybenzoyl)amino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.2871 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.29438 245.3
[M+Na]+ 625.27632 243.7
[M-H]- 601.27982 250.7
[M+NH4]+ 620.32092 245.3
[M+K]+ 641.25026 240.3
[M+H-H2O]+ 585.28436 233.8
[M+HCOO]- 647.28530 255.3
[M+CH3COO]- 661.30095 269.0
[M+Na-2H]- 623.26177 237.8
[M]+ 602.28655 249.2
[M]- 602.28765 249.2
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.