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 198.7
[M+Na]+ 437.12386 205.6
[M-H]- 413.12736 205.0
[M+NH4]+ 432.16846 209.1
[M+K]+ 453.09780 199.1
[M+H-H2O]+ 397.13190 189.3
[M+HCOO]- 459.13284 207.6
[M+CH3COO]- 473.14849 206.8
[M+Na-2H]- 435.10931 195.0
[M]+ 414.13409 199.1
[M]- 414.13519 199.1
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

patents stripe