CID 3025481

103255-64-7

Structural Information

Molecular Formula
C22H23ClN2O4
SMILES
COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)Cl)CC(=O)N4CCC(CC4)O
InChI
InChI=1S/C22H23ClN2O4/c1-29-17-5-3-15(4-6-17)25-20(13-21(27)24-10-8-16(26)9-11-24)19-12-14(23)2-7-18(19)22(25)28/h2-7,12,16,20,26H,8-11,13H2,1H3
InChIKey
HEWPMOPWBVTFCL-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

414.13464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14192 197.4
[M+Na]+ 437.12386 210.7
[M+NH4]+ 432.16846 203.9
[M+K]+ 453.09780 205.2
[M-H]- 413.12736 201.2
[M+Na-2H]- 435.10931 202.0
[M]+ 414.13409 200.5
[M]- 414.13519 200.5
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