CID 5929993

Nsc641607

Structural Information

Molecular Formula
C24H21NO5
SMILES
COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)/C(=N\O)/C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H21NO5/c1-28-17-11-7-15(8-12-17)21(22-19-5-3-4-6-20(19)30-24(22)26)23(25-27)16-9-13-18(29-2)14-10-16/h3-14,21-22,27H,1-2H3/b25-23-
InChIKey
FBWAFBVOCIGTGV-BZZOAKBMSA-N
Compound name
3-[(2E)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethyl]-3H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

403.14197 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14925 195.8
[M+Na]+ 426.13119 201.5
[M-H]- 402.13469 207.1
[M+NH4]+ 421.17579 206.9
[M+K]+ 442.10513 199.0
[M+H-H2O]+ 386.13923 186.6
[M+HCOO]- 448.14017 216.3
[M+CH3COO]- 462.15582 225.8
[M+Na-2H]- 424.11664 196.4
[M]+ 403.14142 199.5
[M]- 403.14252 199.5
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.