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]+ 378.144816 188.6
[M+Na]+ 400.126758 197.3
[M-H]- 376.130264 196.5
[M+NH4]+ 395.171363 203.8
[M+K]+ 416.100698 192.7
[M+H-H2O]+ 360.134800 180.2
[M+HCOO]- 422.135741 208.9
[M+CH3COO]- 436.151391 225.0
[M+Na-2H]- 398.112206 187.3
[M]+ 377.13699142 193.1
[M]- 377.13808858 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.