CID 213639

Benzamide, 4-methoxy-n-(1-(2-(2-methyl-1h-indol-3-yl)ethyl)-4-piperidinyl)-, hydrate

Structural Information

Molecular Formula
C24H29N3O2
SMILES
CC1=C(C2=CC=CC=C2N1)CCN3CCC(CC3)NC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H29N3O2/c1-17-21(22-5-3-4-6-23(22)25-17)13-16-27-14-11-19(12-15-27)26-24(28)18-7-9-20(29-2)10-8-18/h3-10,19,25H,11-16H2,1-2H3,(H,26,28)
InChIKey
PFQBBQJXJYEIAK-UHFFFAOYSA-N
Compound name
4-methoxy-N-[1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.22598 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.233256 196.3
[M+Na]+ 414.215198 200.9
[M-H]- 390.218704 202.3
[M+NH4]+ 409.259803 206.2
[M+K]+ 430.189138 194.0
[M+H-H2O]+ 374.223240 185.5
[M+HCOO]- 436.224181 212.5
[M+CH3COO]- 450.239831 204.0
[M+Na-2H]- 412.200646 195.9
[M]+ 391.22543142 194.3
[M]- 391.22652858 194.3
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