CID 3045975

4-(4-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2h-isoindol-2-yl)benzoyl)morpholine

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O
InChI
InChI=1S/C19H20N2O4/c22-17(20-9-11-25-12-10-20)13-5-7-14(8-6-13)21-18(23)15-3-1-2-4-16(15)19(21)24/h1-2,5-8,15-16H,3-4,9-12H2
InChIKey
PJYJYCPMEQIPBP-UHFFFAOYSA-N
Compound name
2-[4-(morpholine-4-carbonyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 180.0
[M+Na]+ 363.13152 191.5
[M+NH4]+ 358.17612 186.6
[M+K]+ 379.10546 187.6
[M-H]- 339.13502 184.8
[M+Na-2H]- 361.11697 183.8
[M]+ 340.14175 182.6
[M]- 340.14285 182.6
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.