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

4
Patents

394.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.196546 193.3
[M+Na]+ 417.178488 196.1
[M-H]- 393.181994 199.0
[M+NH4]+ 412.223093 200.2
[M+K]+ 433.152428 192.1
[M+H-H2O]+ 377.186530 183.1
[M+HCOO]- 439.187471 199.6
[M+CH3COO]- 453.203121 199.6
[M+Na-2H]- 415.163936 191.8
[M]+ 394.18872142 187.0
[M]- 394.18981858 187.0
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

patents stripe