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]+ 438.238726 206.3
[M+Na]+ 460.220668 210.8
[M-H]- 436.224174 212.5
[M+NH4]+ 455.265273 214.4
[M+K]+ 476.194608 205.4
[M+H-H2O]+ 420.228710 195.2
[M+HCOO]- 482.229651 222.4
[M+CH3COO]- 496.245301 230.7
[M+Na-2H]- 458.206116 205.0
[M]+ 437.23090142 207.8
[M]- 437.23199858 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