CID 369450

908805-47-0

Structural Information

Molecular Formula
C27H20N2O6
SMILES
COC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43
InChI
InChI=1S/C27H20N2O6/c1-35-25-13-7-6-12-20(25)29-27(34)24(32)15-22(30)18-10-4-5-11-19(18)28-21-14-23(31)26(33)17-9-3-2-8-16(17)21/h2-14,28H,15H2,1H3,(H,29,34)
InChIKey
AMUNALPHHIVLDN-UHFFFAOYSA-N
Compound name
4-[2-[(3,4-dioxonaphthalen-1-yl)amino]phenyl]-N-(2-methoxyphenyl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.13214 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.13942 208.8
[M+Na]+ 491.12136 212.9
[M-H]- 467.12486 218.7
[M+NH4]+ 486.16596 215.6
[M+K]+ 507.09530 209.3
[M+H-H2O]+ 451.12940 197.5
[M+HCOO]- 513.13034 228.7
[M+CH3COO]- 527.14599 242.7
[M+Na-2H]- 489.10681 209.3
[M]+ 468.13159 210.3
[M]- 468.13269 210.3
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.