CID 389858

Nsc686489

Structural Information

Molecular Formula
C28H20N2O4
SMILES
CC1=CC(=C2C=CC=NC2=C1O)C3(C4=CC=CC=C4C(=O)O3)C5=C6C=CC=NC6=C(C(=C5)C)O
InChI
InChI=1S/C28H20N2O4/c1-15-13-21(17-8-5-11-29-23(17)25(15)31)28(20-10-4-3-7-19(20)27(33)34-28)22-14-16(2)26(32)24-18(22)9-6-12-30-24/h3-14,31-32H,1-2H3
InChIKey
KBNVZXWRVJSFSI-UHFFFAOYSA-N
Compound name
3,3-bis(8-hydroxy-7-methylquinolin-5-yl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

448.1423 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14958 211.7
[M+Na]+ 471.13152 223.8
[M-H]- 447.13502 221.4
[M+NH4]+ 466.17612 221.8
[M+K]+ 487.10546 216.9
[M+H-H2O]+ 431.13956 199.8
[M+HCOO]- 493.14050 225.7
[M+CH3COO]- 507.15615 220.8
[M+Na-2H]- 469.11697 214.5
[M]+ 448.14175 215.8
[M]- 448.14285 215.8
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.