CID 9555887

Nsc647252

Structural Information

Molecular Formula
C26H22N4O6
SMILES
CC1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC(=C(O3)/C=N/NC(=O)C4=CC=NC=C4)[N+](=O)[O-])OC)OC
InChI
InChI=1S/C26H22N4O6/c1-16-4-5-18(13-23(16)35-3)20-12-19(6-7-22(20)34-2)24-14-21(30(32)33)25(36-24)15-28-29-26(31)17-8-10-27-11-9-17/h4-15H,1-3H3,(H,29,31)/b28-15+
InChIKey
AHMKICSBJKVXCO-RWPZCVJISA-N
Compound name
N-[(E)-[5-[4-methoxy-3-(3-methoxy-4-methylphenyl)phenyl]-3-nitrofuran-2-yl]methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.15393 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.16121 218.1
[M+Na]+ 509.14315 222.2
[M-H]- 485.14665 232.1
[M+NH4]+ 504.18775 222.5
[M+K]+ 525.11709 215.4
[M+H-H2O]+ 469.15119 209.9
[M+HCOO]- 531.15213 243.0
[M+CH3COO]- 545.16778 239.7
[M+Na-2H]- 507.12860 221.1
[M]+ 486.15338 221.9
[M]- 486.15448 221.9
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.