CID 213625

N-(1-(2-(1h-indol-3-yl)ethyl)-4-piperidinyl)-3,4,5-trimethoxybenzamide hydrate

Structural Information

Molecular Formula
C25H31N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCN(CC2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C25H31N3O4/c1-30-22-14-18(15-23(31-2)24(22)32-3)25(29)27-19-9-12-28(13-10-19)11-8-17-16-26-21-7-5-4-6-20(17)21/h4-7,14-16,19,26H,8-13H2,1-3H3,(H,27,29)
InChIKey
DEOJPEKIPRWBQP-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

437.23145 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.23873 208.7
[M+Na]+ 460.22067 220.6
[M+NH4]+ 455.26527 214.2
[M+K]+ 476.19461 215.2
[M-H]- 436.22417 213.1
[M+Na-2H]- 458.20612 214.0
[M]+ 437.23090 211.4
[M]- 437.23200 211.4
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

patents stripe