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 206.3
[M+Na]+ 460.22067 210.8
[M-H]- 436.22417 212.5
[M+NH4]+ 455.26527 214.4
[M+K]+ 476.19461 205.4
[M+H-H2O]+ 420.22871 195.2
[M+HCOO]- 482.22965 222.4
[M+CH3COO]- 496.24530 230.7
[M+Na-2H]- 458.20612 205.0
[M]+ 437.23090 207.8
[M]- 437.23200 207.8
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