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 193.3
[M+Na]+ 417.17849 196.1
[M-H]- 393.18199 199.0
[M+NH4]+ 412.22309 200.2
[M+K]+ 433.15243 192.1
[M+H-H2O]+ 377.18653 183.1
[M+HCOO]- 439.18747 199.6
[M+CH3COO]- 453.20312 199.6
[M+Na-2H]- 415.16394 191.8
[M]+ 394.18872 187.0
[M]- 394.18982 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