CID 203926

M&b 7448

Structural Information

Molecular Formula
C22H24N2O5
SMILES
CC(=O)OCC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C22H24N2O5/c1-15(25)29-14-16-13-17(23)9-10-20(16)28-12-6-2-5-11-24-21(26)18-7-3-4-8-19(18)22(24)27/h3-4,7-10,13H,2,5-6,11-12,14,23H2,1H3
InChIKey
CTUAQUQERXPQFL-UHFFFAOYSA-N
Compound name
[5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]phenyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17580 195.9
[M+Na]+ 419.15774 206.4
[M+NH4]+ 414.20234 200.7
[M+K]+ 435.13168 202.0
[M-H]- 395.16124 197.8
[M+Na-2H]- 417.14319 198.8
[M]+ 396.16797 197.5
[M]- 396.16907 197.5
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.