CID 37009

34944-01-9

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]+ 365.22238 191.3
[M+Na]+ 387.20432 195.8
[M-H]- 363.20782 196.5
[M+NH4]+ 382.24892 204.3
[M+K]+ 403.17826 189.0
[M+H-H2O]+ 347.21236 180.4
[M+HCOO]- 409.21330 205.0
[M+CH3COO]- 423.22895 199.1
[M+Na-2H]- 385.18977 191.2
[M]+ 364.21455 187.1
[M]- 364.21565 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.