CID 369482

Nsc641252

Structural Information

Molecular Formula
C29H20N2O6
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5C(=O)N
InChI
InChI=1S/C29H20N2O6/c30-27(34)21-11-5-6-12-22(21)31-28(35)25(33)23(26-19-9-3-4-10-20(19)29(36)37-26)24(32)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,23,26H,(H2,30,34)(H,31,35)
InChIKey
HQNHPBCBHFGHNN-UHFFFAOYSA-N
Compound name
2-[[4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.13214 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.13942 214.7
[M+Na]+ 515.12136 217.4
[M-H]- 491.12486 225.7
[M+NH4]+ 510.16596 221.2
[M+K]+ 531.09530 215.2
[M+H-H2O]+ 475.12940 205.1
[M+HCOO]- 537.13034 230.8
[M+CH3COO]- 551.14599 246.7
[M+Na-2H]- 513.10681 212.8
[M]+ 492.13159 214.7
[M]- 492.13269 214.7
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.