CID 5804257

Nsc643010

Structural Information

Molecular Formula
C33H21NO5
SMILES
C1=CC=C(C=C1)/C=C/C2=CC(=O)OC3=C2C=CC(=C3)O/C(=C\C4=CC=CC=C4)/C5=NC6=CC=CC=C6C(=O)O5
InChI
InChI=1S/C33H21NO5/c35-31-20-24(16-15-22-9-3-1-4-10-22)26-18-17-25(21-29(26)38-31)37-30(19-23-11-5-2-6-12-23)32-34-28-14-8-7-13-27(28)33(36)39-32/h1-21H/b16-15+,30-19-
InChIKey
YTULQCIFFQVHLB-QLLPQLFKSA-N
Compound name
2-[(Z)-1-[2-oxo-4-[(E)-2-phenylethenyl]chromen-7-yl]oxy-2-phenylethenyl]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.14197 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.14925 229.1
[M+Na]+ 534.13119 237.4
[M-H]- 510.13469 242.8
[M+NH4]+ 529.17579 231.2
[M+K]+ 550.10513 231.9
[M+H-H2O]+ 494.13923 213.9
[M+HCOO]- 556.14017 245.7
[M+CH3COO]- 570.15582 236.4
[M+Na-2H]- 532.11664 233.3
[M]+ 511.14142 233.0
[M]- 511.14252 233.0
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.