CID 2789923

Dimethyl 2-{[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-methylpentanoyl]amino}terephthalate

Structural Information

Molecular Formula
C24H24N2O7
SMILES
CC(C)CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C24H24N2O7/c1-13(2)11-19(26-21(28)15-7-5-6-8-16(15)22(26)29)20(27)25-18-12-14(23(30)32-3)9-10-17(18)24(31)33-4/h5-10,12-13,19H,11H2,1-4H3,(H,25,27)
InChIKey
IKZNTQDWTRJNSM-UHFFFAOYSA-N
Compound name
dimethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.15836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.16564 204.1
[M+Na]+ 475.14758 208.6
[M-H]- 451.15108 210.4
[M+NH4]+ 470.19218 213.4
[M+K]+ 491.12152 207.3
[M+H-H2O]+ 435.15562 195.8
[M+HCOO]- 497.15656 220.9
[M+CH3COO]- 511.17221 237.2
[M+Na-2H]- 473.13303 199.1
[M]+ 452.15781 209.7
[M]- 452.15891 209.7
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.