CID 54421

Phthalimide, n-(4-(3-morpholinopropoxy)phenyl)-

Structural Information

Molecular Formula
C21H22N2O4
SMILES
C1COCCN1CCCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H22N2O4/c24-20-18-4-1-2-5-19(18)21(25)23(20)16-6-8-17(9-7-16)27-13-3-10-22-11-14-26-15-12-22/h1-2,4-9H,3,10-15H2
InChIKey
INXSKWGBUJTXIQ-UHFFFAOYSA-N
Compound name
2-[4-(3-morpholin-4-ylpropoxy)phenyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

366.15796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 187.0
[M+Na]+ 389.14718 192.7
[M-H]- 365.15068 194.7
[M+NH4]+ 384.19178 197.2
[M+K]+ 405.12112 188.8
[M+H-H2O]+ 349.15522 176.3
[M+HCOO]- 411.15616 202.4
[M+CH3COO]- 425.17181 196.1
[M+Na-2H]- 387.13263 187.4
[M]+ 366.15741 186.8
[M]- 366.15851 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.