CID 508815

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

Structural Information

Molecular Formula
C27H35ClN4O5
SMILES
COC1=CC(=CC(=C1)C(=O)NC(CCC(=O)N)C(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C27H35ClN4O5/c1-36-22-13-20(14-23(15-22)37-2)26(34)31-24(7-8-25(29)33)27(35)30-16-18-9-11-32(12-10-18)17-19-3-5-21(28)6-4-19/h3-6,13-15,18,24H,7-12,16-17H2,1-2H3,(H2,29,33)(H,30,35)(H,31,34)
InChIKey
ZRJPJLOBKGLNQY-UHFFFAOYSA-N
Compound name
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(3,5-dimethoxybenzoyl)amino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.2296 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.23688 226.5
[M+Na]+ 553.21882 226.2
[M-H]- 529.22232 232.4
[M+NH4]+ 548.26342 229.4
[M+K]+ 569.19276 222.4
[M+H-H2O]+ 513.22686 215.7
[M+HCOO]- 575.22780 237.7
[M+CH3COO]- 589.24345 254.2
[M+Na-2H]- 551.20427 221.2
[M]+ 530.22905 227.3
[M]- 530.23015 227.3
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.