CID 135499192

Nsc643014

Structural Information

Molecular Formula
C26H17NO6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)O/C(=C\C3=CC=C(C=C3)O)/C4=NC5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C26H17NO6/c1-15-12-24(29)32-22-14-18(10-11-19(15)22)31-23(13-16-6-8-17(28)9-7-16)25-27-21-5-3-2-4-20(21)26(30)33-25/h2-14,28H,1H3/b23-13-
InChIKey
MADYAKUUMPGAAE-QRVIBDJDSA-N
Compound name
2-[(Z)-2-(4-hydroxyphenyl)-1-(4-methyl-2-oxochromen-7-yl)oxyethenyl]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1056 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.11288 206.1
[M+Na]+ 462.09482 216.7
[M-H]- 438.09832 217.4
[M+NH4]+ 457.13942 211.9
[M+K]+ 478.06876 213.3
[M+H-H2O]+ 422.10286 193.7
[M+HCOO]- 484.10380 223.3
[M+CH3COO]- 498.11945 215.8
[M+Na-2H]- 460.08027 211.7
[M]+ 439.10505 212.5
[M]- 439.10615 212.5
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.