CID 213650

Brn 0455057

Structural Information

Molecular Formula
C23H25N3O3
SMILES
COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H25N3O3/c1-29-18-8-6-16(7-9-18)23(28)25-17-10-12-26(13-11-17)15-22(27)20-14-24-21-5-3-2-4-19(20)21/h2-9,14,17,24H,10-13,15H2,1H3,(H,25,28)
InChIKey
KZWQALMZYRQYFI-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 192.9
[M+Na]+ 414.17882 196.7
[M-H]- 390.18232 198.8
[M+NH4]+ 409.22342 202.2
[M+K]+ 430.15276 190.8
[M+H-H2O]+ 374.18686 182.2
[M+HCOO]- 436.18780 208.8
[M+CH3COO]- 450.20345 200.5
[M+Na-2H]- 412.16427 192.9
[M]+ 391.18905 190.2
[M]- 391.19015 190.2
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.