CID 215402

Brn 0447937

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2)CC(C3=CNC4=CC=CC=C43)O
InChI
InChI=1S/C22H25N3O2/c26-21(19-14-23-20-9-5-4-8-18(19)20)15-25-12-10-17(11-13-25)24-22(27)16-6-2-1-3-7-16/h1-9,14,17,21,23,26H,10-13,15H2,(H,24,27)
InChIKey
UHAAQYBLVXWMRP-UHFFFAOYSA-N
Compound name
N-[1-[2-hydroxy-2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

363.19467 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 185.2
[M+Na]+ 386.18389 188.2
[M-H]- 362.18739 189.6
[M+NH4]+ 381.22849 195.0
[M+K]+ 402.15783 181.5
[M+H-H2O]+ 346.19193 175.0
[M+HCOO]- 408.19287 199.8
[M+CH3COO]- 422.20852 192.5
[M+Na-2H]- 384.16934 186.1
[M]+ 363.19412 179.4
[M]- 363.19522 179.4
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