CID 39278

2h-indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(2-piperidinoethyl)-, fumarate, hemihydrate (2:2:1)

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CCOC1(C2=CC=CC=C2N(C1=O)CCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O2/c1-2-27-23(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
ZCYMOCYLPYPAKQ-UHFFFAOYSA-N
Compound name
3-ethoxy-3-phenyl-1-(2-piperidin-1-ylethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 191.3
[M+Na]+ 387.204318 196.2
[M-H]- 363.207824 197.9
[M+NH4]+ 382.248923 205.0
[M+K]+ 403.178258 190.2
[M+H-H2O]+ 347.212360 180.0
[M+HCOO]- 409.213301 206.5
[M+CH3COO]- 423.228951 199.8
[M+Na-2H]- 385.189766 191.5
[M]+ 364.21455142 188.9
[M]- 364.21564858 188.9
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.