CID 5928970

Nsc643008

Structural Information

Molecular Formula
C26H17NO5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)O/C(=C\C3=CC=CC=C3)/C4=NC5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C26H17NO5/c1-16-13-24(28)31-22-15-18(11-12-19(16)22)30-23(14-17-7-3-2-4-8-17)25-27-21-10-6-5-9-20(21)26(29)32-25/h2-15H,1H3/b23-14-
InChIKey
UAEPNWBUEAFKOM-UCQKPKSFSA-N
Compound name
2-[(Z)-1-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylethenyl]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1107 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.11798 203.0
[M+Na]+ 446.09992 213.5
[M-H]- 422.10342 215.0
[M+NH4]+ 441.14452 209.9
[M+K]+ 462.07386 209.7
[M+H-H2O]+ 406.10796 190.4
[M+HCOO]- 468.10890 221.5
[M+CH3COO]- 482.12455 213.1
[M+Na-2H]- 444.08537 209.4
[M]+ 423.11015 209.1
[M]- 423.11125 209.1
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.