CID 6540267

N-(1-isopropylpiperidin-4-yl)-1-(3-methoxybenzyl)-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C25H31N3O2
SMILES
CC(C)N1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC(=CC=C4)OC
InChI
InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29)
InChIKey
GIPCBGDQVGKMPO-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

405.24164 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24892 201.1
[M+Na]+ 428.23086 205.3
[M-H]- 404.23436 208.4
[M+NH4]+ 423.27546 211.1
[M+K]+ 444.20480 199.6
[M+H-H2O]+ 388.23890 190.0
[M+HCOO]- 450.23984 217.4
[M+CH3COO]- 464.25549 208.9
[M+Na-2H]- 426.21631 199.4
[M]+ 405.24109 200.6
[M]- 405.24219 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe