CID 381436

Nsc668024

Structural Information

Molecular Formula
C35H26N2O8
SMILES
C1=CC=C(C=C1)COC(=O)C(CN2C(=O)C3=CC=CC=C3C2=O)(CN4C(=O)C5=CC=CC=C5C4=O)C(=O)OCC6=CC=CC=C6
InChI
InChI=1S/C35H26N2O8/c38-29-25-15-7-8-16-26(25)30(39)36(29)21-35(33(42)44-19-23-11-3-1-4-12-23,34(43)45-20-24-13-5-2-6-14-24)22-37-31(40)27-17-9-10-18-28(27)32(37)41/h1-18H,19-22H2
InChIKey
UCYDATXYVZPWOZ-UHFFFAOYSA-N
Compound name
dibenzyl 2,2-bis[(1,3-dioxoisoindol-2-yl)methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.16895 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.17623 241.5
[M+Na]+ 625.15817 244.7
[M-H]- 601.16167 253.2
[M+NH4]+ 620.20277 244.4
[M+K]+ 641.13211 240.8
[M+H-H2O]+ 585.16621 230.3
[M+HCOO]- 647.16715 254.3
[M+CH3COO]- 661.18280 257.7
[M+Na-2H]- 623.14362 237.6
[M]+ 602.16840 246.1
[M]- 602.16950 246.1
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.