CID 39284

2h-indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(3-piperidinopropyl)-, fumarate, hydrate

Structural Information

Molecular Formula
C24H30N2O2
SMILES
CCOC1(C2=CC=CC=C2N(C1=O)CCCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H30N2O2/c1-2-28-24(20-12-5-3-6-13-20)21-14-7-8-15-22(21)26(23(24)27)19-11-18-25-16-9-4-10-17-25/h3,5-8,12-15H,2,4,9-11,16-19H2,1H3
InChIKey
FOQLCHCCDFYPIE-UHFFFAOYSA-N
Compound name
3-ethoxy-3-phenyl-1-(3-piperidin-1-ylpropyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.23074 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 196.5
[M+Na]+ 401.21996 209.5
[M+NH4]+ 396.26456 205.8
[M+K]+ 417.19390 199.9
[M-H]- 377.22346 201.8
[M+Na-2H]- 399.20541 204.4
[M]+ 378.23019 200.0
[M]- 378.23129 200.0
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.