CID 54677092

Nsc647094

Structural Information

Molecular Formula
C27H21NO6
SMILES
C1=CC=C(C=C1)C(CC(=O)CC(=O)C(=O)NC2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C27H21NO6/c29-19(16-22(30)26(32)28-18-11-5-2-6-12-18)15-21(17-9-3-1-4-10-17)24-25(31)20-13-7-8-14-23(20)34-27(24)33/h1-14,21,31H,15-16H2,(H,28,32)
InChIKey
QHMRUIYNFKLZCE-UHFFFAOYSA-N
Compound name
6-(4-hydroxy-2-oxochromen-3-yl)-2,4-dioxo-N,6-diphenylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.1369 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.14418 207.8
[M+Na]+ 478.12612 211.3
[M-H]- 454.12962 216.9
[M+NH4]+ 473.17072 213.2
[M+K]+ 494.10006 208.5
[M+H-H2O]+ 438.13416 196.8
[M+HCOO]- 500.13510 224.6
[M+CH3COO]- 514.15075 234.2
[M+Na-2H]- 476.11157 208.7
[M]+ 455.13635 209.4
[M]- 455.13745 209.4
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.