CID 51097131

1252149-81-7

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1CN(CCC1C2=CC3=CC=CC=C3N2)C(=O)CCC4=CC=CC=C4O
InChI
InChI=1S/C22H24N2O2/c25-21-8-4-2-5-17(21)9-10-22(26)24-13-11-16(12-14-24)20-15-18-6-1-3-7-19(18)23-20/h1-8,15-16,23,25H,9-14H2
InChIKey
HCLKGIWGQTXYOJ-UHFFFAOYSA-N
Compound name
3-(2-hydroxyphenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 186.0
[M+Na]+ 371.17300 199.7
[M+NH4]+ 366.21760 193.5
[M+K]+ 387.14694 193.3
[M-H]- 347.17650 190.7
[M+Na-2H]- 369.15845 193.2
[M]+ 348.18323 189.2
[M]- 348.18433 189.2
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.