CID 37642

1,3-dihydro-3-ethyl-3-phenyl-1-(2-(piperidino)ethyl)-2h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C23H28N2O
SMILES
CCC1(C2=CC=CC=C2N(C1=O)CCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O/c1-2-23(19-11-5-3-6-12-19)20-13-7-8-14-21(20)25(22(23)26)18-17-24-15-9-4-10-16-24/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3
InChIKey
OOTBDBNBVGKJKP-UHFFFAOYSA-N
Compound name
3-ethyl-3-phenyl-1-(2-piperidin-1-ylethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22015 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.227426 188.4
[M+Na]+ 371.209368 193.5
[M-H]- 347.212874 194.9
[M+NH4]+ 366.253973 202.8
[M+K]+ 387.183308 186.8
[M+H-H2O]+ 331.217410 177.2
[M+HCOO]- 393.218351 203.4
[M+CH3COO]- 407.234001 197.0
[M+Na-2H]- 369.194816 188.4
[M]+ 348.21960142 184.5
[M]- 348.22069858 184.5
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.