CID 508787

2-pyrrolidinecarboxamide, n-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-1-(1h-indol-2-ylcarbonyl)-

Structural Information

Molecular Formula
C27H31ClN4O2
SMILES
C1CC(N(C1)C(=O)C2=CC3=CC=CC=C3N2)C(=O)NCC4CCN(CC4)CC5=CC=C(C=C5)Cl
InChI
InChI=1S/C27H31ClN4O2/c28-22-9-7-20(8-10-22)18-31-14-11-19(12-15-31)17-29-26(33)25-6-3-13-32(25)27(34)24-16-21-4-1-2-5-23(21)30-24/h1-2,4-5,7-10,16,19,25,30H,3,6,11-15,17-18H2,(H,29,33)
InChIKey
ZPJMGLJRHHIJTN-UHFFFAOYSA-N
Compound name
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.21356 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.22084 215.5
[M+Na]+ 501.20278 218.3
[M-H]- 477.20628 222.9
[M+NH4]+ 496.24738 222.4
[M+K]+ 517.17672 210.0
[M+H-H2O]+ 461.21082 203.9
[M+HCOO]- 523.21176 223.2
[M+CH3COO]- 537.22741 220.8
[M+Na-2H]- 499.18823 209.3
[M]+ 478.21301 211.7
[M]- 478.21411 211.7
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.