CID 13655925

103255-57-8

Structural Information

Molecular Formula
C24H25ClN2O5
SMILES
COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)Cl)CC(=O)N4CCC5(CC4)OCCO5
InChI
InChI=1S/C24H25ClN2O5/c1-30-18-5-3-17(4-6-18)27-21(20-14-16(25)2-7-19(20)23(27)29)15-22(28)26-10-8-24(9-11-26)31-12-13-32-24/h2-7,14,21H,8-13,15H2,1H3
InChIKey
WECWDCCSOZQYPV-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

456.1452 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.15248 208.8
[M+Na]+ 479.13442 215.3
[M-H]- 455.13792 219.5
[M+NH4]+ 474.17902 219.0
[M+K]+ 495.10836 211.9
[M+H-H2O]+ 439.14246 199.7
[M+HCOO]- 501.14340 215.9
[M+CH3COO]- 515.15905 216.9
[M+Na-2H]- 477.11987 204.5
[M]+ 456.14465 210.3
[M]- 456.14575 210.3
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

patents stripe