CID 3580140

Nsc657727

Structural Information

Molecular Formula
C25H20N2O7
SMILES
COC1=C(C=CC(=C1)C2=C(OC(=C2[N+](=O)[O-])C=NC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)O
InChI
InChI=1S/C25H20N2O7/c1-32-20-12-15(8-10-18(20)28)23-24(27(30)31)22(14-26-17-6-4-3-5-7-17)34-25(23)16-9-11-19(29)21(13-16)33-2/h3-14,28-29H,1-2H3
InChIKey
RTEJNTMHKKJOBQ-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxy-3-methoxyphenyl)-4-nitro-5-(phenyliminomethyl)furan-3-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.12704 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.13432 209.9
[M+Na]+ 483.11626 215.2
[M-H]- 459.11976 223.1
[M+NH4]+ 478.16086 216.1
[M+K]+ 499.09020 208.3
[M+H-H2O]+ 443.12430 203.5
[M+HCOO]- 505.12524 233.5
[M+CH3COO]- 519.14089 228.7
[M+Na-2H]- 481.10171 212.3
[M]+ 460.12649 213.4
[M]- 460.12759 213.4
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.