CID 213590

Brn 0449349

Structural Information

Molecular Formula
C22H21N3O3
SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H21N3O3/c26-20(18-14-23-19-9-5-4-8-17(18)19)22(28)25-12-10-16(11-13-25)24-21(27)15-6-2-1-3-7-15/h1-9,14,16,23H,10-13H2,(H,24,27)
InChIKey
RONZXJXAGNDAAW-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)-2-oxoacetyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16558 187.3
[M+Na]+ 398.14752 190.7
[M-H]- 374.15102 193.2
[M+NH4]+ 393.19212 196.9
[M+K]+ 414.12146 185.0
[M+H-H2O]+ 358.15556 177.0
[M+HCOO]- 420.15650 202.8
[M+CH3COO]- 434.17215 195.0
[M+Na-2H]- 396.13297 187.5
[M]+ 375.15775 182.6
[M]- 375.15885 182.6
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.