CID 37009

1-benzyl-3-methyl-3-(2-(piperidino)ethoxy)-2-indolinone oxalate

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)OCCC4CCCCN4
InChI
InChI=1S/C23H28N2O2/c1-23(27-16-14-19-11-7-8-15-24-19)20-12-5-6-13-21(20)25(22(23)26)17-18-9-3-2-4-10-18/h2-6,9-10,12-13,19,24H,7-8,11,14-17H2,1H3
InChIKey
IWWRBWCNJRAMQX-UHFFFAOYSA-N
Compound name
1-benzyl-3-methyl-3-(2-piperidin-2-ylethoxy)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 191.3
[M+Na]+ 387.204318 195.8
[M-H]- 363.207824 196.5
[M+NH4]+ 382.248923 204.3
[M+K]+ 403.178258 189.0
[M+H-H2O]+ 347.212360 180.4
[M+HCOO]- 409.213301 205.0
[M+CH3COO]- 423.228951 199.1
[M+Na-2H]- 385.189766 191.2
[M]+ 364.21455142 187.1
[M]- 364.21564858 187.1
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.