CID 13655927

103255-60-3

Structural Information

Molecular Formula
C24H25N3O7
SMILES
COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)[N+](=O)[O-])CC(=O)N4CCC5(CC4)OCCO5
InChI
InChI=1S/C24H25N3O7/c1-32-18-5-2-16(3-6-18)26-21(20-14-17(27(30)31)4-7-19(20)23(26)29)15-22(28)25-10-8-24(9-11-25)33-12-13-34-24/h2-7,14,21H,8-13,15H2,1H3
InChIKey
OFNXFMOAMVFCTA-UHFFFAOYSA-N
Compound name
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5-nitro-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.16925 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.17653 208.5
[M+Na]+ 490.15847 210.9
[M-H]- 466.16197 219.2
[M+NH4]+ 485.20307 215.6
[M+K]+ 506.13241 205.6
[M+H-H2O]+ 450.16651 203.5
[M+HCOO]- 512.16745 220.7
[M+CH3COO]- 526.18310 226.4
[M+Na-2H]- 488.14392 208.7
[M]+ 467.16870 205.9
[M]- 467.16980 205.9
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.