CID 4185487

Nsc659427

Structural Information

Molecular Formula
C31H20N2O5
SMILES
C1=CC=C(C=C1)N=CC2=C(C(=C(O2)C3=C(C=CC4=CC=CC=C43)O)C5=C(C=CC6=CC=CC=C65)O)[N+](=O)[O-]
InChI
InChI=1S/C31H20N2O5/c34-24-16-14-19-8-4-6-12-22(19)27(24)29-30(33(36)37)26(18-32-21-10-2-1-3-11-21)38-31(29)28-23-13-7-5-9-20(23)15-17-25(28)35/h1-18,34-35H
InChIKey
WXDGLWDETSFPKY-UHFFFAOYSA-N
Compound name
1-[2-(2-hydroxynaphthalen-1-yl)-4-nitro-5-(phenyliminomethyl)furan-3-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.1372 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.14448 220.5
[M+Na]+ 523.12642 226.3
[M-H]- 499.12992 234.8
[M+NH4]+ 518.17102 226.3
[M+K]+ 539.10036 216.6
[M+H-H2O]+ 483.13446 212.7
[M+HCOO]- 545.13540 241.5
[M+CH3COO]- 559.15105 237.7
[M+Na-2H]- 521.11187 225.4
[M]+ 500.13665 221.8
[M]- 500.13775 221.8
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.