CID 3025479

103255-59-0

Structural Information

Molecular Formula
C22H21ClN2O4
SMILES
COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)Cl)CC(=O)N4CCC(=O)CC4
InChI
InChI=1S/C22H21ClN2O4/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/h2-7,12,20H,8-11,13H2,1H3
InChIKey
OYZDYSSDTWQNKT-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-methoxyphenyl)-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12628 198.0
[M+Na]+ 435.10822 205.6
[M-H]- 411.11172 205.6
[M+NH4]+ 430.15282 209.0
[M+K]+ 451.08216 199.2
[M+H-H2O]+ 395.11626 188.2
[M+HCOO]- 457.11720 208.5
[M+CH3COO]- 471.13285 223.2
[M+Na-2H]- 433.09367 194.5
[M]+ 412.11845 199.4
[M]- 412.11955 199.4
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

No patent data available for this compound.