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 194.8
[M+Na]+ 419.15774 201.4
[M-H]- 395.16124 200.5
[M+NH4]+ 414.20234 206.9
[M+K]+ 435.13168 197.1
[M+H-H2O]+ 379.16578 185.8
[M+HCOO]- 441.16672 215.0
[M+CH3COO]- 455.18237 225.2
[M+Na-2H]- 417.14319 193.4
[M]+ 396.16797 199.8
[M]- 396.16907 199.8
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.