CID 88585

Methylamine, bis(beta-(phthalimido)ethyl)-

Structural Information

Molecular Formula
C21H19N3O4
SMILES
CN(CCN1C(=O)C2=CC=CC=C2C1=O)CCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H19N3O4/c1-22(10-12-23-18(25)14-6-2-3-7-15(14)19(23)26)11-13-24-20(27)16-8-4-5-9-17(16)21(24)28/h2-9H,10-13H2,1H3
InChIKey
FEZXZHXFUKELKG-UHFFFAOYSA-N
Compound name
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.13754 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14482 188.6
[M+Na]+ 400.12676 197.3
[M-H]- 376.13026 196.5
[M+NH4]+ 395.17136 203.8
[M+K]+ 416.10070 192.7
[M+H-H2O]+ 360.13480 180.2
[M+HCOO]- 422.13574 208.9
[M+CH3COO]- 436.15139 225.0
[M+Na-2H]- 398.11221 187.3
[M]+ 377.13699 193.1
[M]- 377.13809 193.1
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.