CID 13655928

103255-61-4

Structural Information

Molecular Formula
C24H26N2O5
SMILES
COC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)CC(=O)N4CCC5(CC4)OCCO5
InChI
InChI=1S/C24H26N2O5/c1-29-18-8-6-17(7-9-18)26-21(19-4-2-3-5-20(19)23(26)28)16-22(27)25-12-10-24(11-13-25)30-14-15-31-24/h2-9,21H,10-16H2,1H3
InChIKey
HBVUDLNRDMFYSJ-UHFFFAOYSA-N
Compound name
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

0
Patents

422.18417 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.191446 200.1
[M+Na]+ 445.173388 205.1
[M-H]- 421.176894 210.7
[M+NH4]+ 440.217993 210.5
[M+K]+ 461.147328 203.0
[M+H-H2O]+ 405.181430 190.7
[M+HCOO]- 467.182371 211.9
[M+CH3COO]- 481.198021 208.4
[M+Na-2H]- 443.158836 197.1
[M]+ 422.18362142 198.9
[M]- 422.18471858 198.9
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.