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]+ 423.19145 200.1
[M+Na]+ 445.17339 205.1
[M-H]- 421.17689 210.7
[M+NH4]+ 440.21799 210.5
[M+K]+ 461.14733 203.0
[M+H-H2O]+ 405.18143 190.7
[M+HCOO]- 467.18237 211.9
[M+CH3COO]- 481.19802 208.4
[M+Na-2H]- 443.15884 197.1
[M]+ 422.18362 198.9
[M]- 422.18472 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.