CID 363409

Nsc628313

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1CCN(CC1)C(=O)C(C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)O
InChI
InChI=1S/C22H24N2O2/c25-21(22(26)23-13-7-2-8-14-23)19-16-24(15-17-9-3-1-4-10-17)20-12-6-5-11-18(19)20/h1,3-6,9-12,16,21,25H,2,7-8,13-15H2
InChIKey
JOBPVBRVGAXFPX-UHFFFAOYSA-N
Compound name
2-(1-benzylindol-3-yl)-2-hydroxy-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 184.1
[M+Na]+ 371.17300 188.4
[M-H]- 347.17650 189.8
[M+NH4]+ 366.21760 195.5
[M+K]+ 387.14694 182.3
[M+H-H2O]+ 331.18104 173.7
[M+HCOO]- 393.18198 199.0
[M+CH3COO]- 407.19763 192.5
[M+Na-2H]- 369.15845 184.2
[M]+ 348.18323 180.5
[M]- 348.18433 180.5
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.