CID 13655926

103255-58-9

Structural Information

Molecular Formula
C22H22ClN3O4
SMILES
COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)Cl)CC(=O)N4CCC(=NO)CC4
InChI
InChI=1S/C22H22ClN3O4/c1-30-17-5-3-16(4-6-17)26-20(19-12-14(23)2-7-18(19)22(26)28)13-21(27)25-10-8-15(24-29)9-11-25/h2-7,12,20,29H,8-11,13H2,1H3
InChIKey
BKOPXXOCBMHFEO-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-(4-hydroxyiminopiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.12988 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.13716 201.5
[M+Na]+ 450.11910 208.2
[M-H]- 426.12260 209.0
[M+NH4]+ 445.16370 211.7
[M+K]+ 466.09304 202.0
[M+H-H2O]+ 410.12714 191.5
[M+HCOO]- 472.12808 213.1
[M+CH3COO]- 486.14373 227.8
[M+Na-2H]- 448.10455 198.9
[M]+ 427.12933 202.3
[M]- 427.13043 202.3
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.