CID 215884

2,6-dimethoxy-n-(1-(2-(1h-indol-3-yl)ethyl)-4-piperidinyl)benzamide hydrochloride hemihydrate

Structural Information

Molecular Formula
C24H29N3O3
SMILES
COC1=C(C(=CC=C1)OC)C(=O)NC2CCN(CC2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C24H29N3O3/c1-29-21-8-5-9-22(30-2)23(21)24(28)26-18-11-14-27(15-12-18)13-10-17-16-25-20-7-4-3-6-19(17)20/h3-9,16,18,25H,10-15H2,1-2H3,(H,26,28)
InChIKey
TXMJCNZOWYORDS-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-2,6-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.2209 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 198.7
[M+Na]+ 430.21012 203.1
[M-H]- 406.21362 204.7
[M+NH4]+ 425.25472 207.9
[M+K]+ 446.18406 197.0
[M+H-H2O]+ 390.21816 187.8
[M+HCOO]- 452.21910 215.1
[M+CH3COO]- 466.23475 206.3
[M+Na-2H]- 428.19557 198.5
[M]+ 407.22035 198.1
[M]- 407.22145 198.1
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.