CID 3055758

72831-91-5

Structural Information

Molecular Formula
C23H26N2O4
SMILES
C1CN(CCC1C2C3=CC=CC=C3NC2=O)CC(C4COC5=CC=CC=C5O4)O
InChI
InChI=1S/C23H26N2O4/c26-18(21-14-28-19-7-3-4-8-20(19)29-21)13-25-11-9-15(10-12-25)22-16-5-1-2-6-17(16)24-23(22)27/h1-8,15,18,21-22,26H,9-14H2,(H,24,27)
InChIKey
HDMKXYXPEHQUAB-UHFFFAOYSA-N
Compound name
3-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

394.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 196.1
[M+Na]+ 417.17849 208.0
[M+NH4]+ 412.22309 203.0
[M+K]+ 433.15243 203.7
[M-H]- 393.18199 202.8
[M+Na-2H]- 415.16394 198.5
[M]+ 394.18872 199.5
[M]- 394.18982 199.5
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

patents stripe