CID 508754

1h-indole-2-carboxamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-

Structural Information

Molecular Formula
C24H27ClN4O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC3=CC=CC=C3N2)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H27ClN4O2/c25-20-7-5-18(6-8-20)16-29-11-9-17(10-12-29)14-26-23(30)15-27-24(31)22-13-19-3-1-2-4-21(19)28-22/h1-8,13,17,28H,9-12,14-16H2,(H,26,30)(H,27,31)
InChIKey
STJKPCQWXVJQIS-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.18225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.18953 203.7
[M+Na]+ 461.17147 207.3
[M-H]- 437.17497 209.2
[M+NH4]+ 456.21607 211.9
[M+K]+ 477.14541 199.3
[M+H-H2O]+ 421.17951 193.2
[M+HCOO]- 483.18045 215.7
[M+CH3COO]- 497.19610 210.2
[M+Na-2H]- 459.15692 203.5
[M]+ 438.18170 201.9
[M]- 438.18280 201.9
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.