CID 369732

Nsc641827

Structural Information

Molecular Formula
C27H24N2O7
SMILES
COC1=C(C=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])C=NC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C27H24N2O7/c1-32-20-12-10-17(14-22(20)34-3)25-26(29(30)31)24(16-28-19-8-6-5-7-9-19)36-27(25)18-11-13-21(33-2)23(15-18)35-4/h5-16H,1-4H3
InChIKey
HNAYZJPMQRYDPB-UHFFFAOYSA-N
Compound name
1-[4,5-bis(3,4-dimethoxyphenyl)-3-nitrofuran-2-yl]-N-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.15836 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.16564 220.9
[M+Na]+ 511.14758 226.3
[M-H]- 487.15108 236.3
[M+NH4]+ 506.19218 227.3
[M+K]+ 527.12152 220.4
[M+H-H2O]+ 471.15562 213.5
[M+HCOO]- 533.15656 246.7
[M+CH3COO]- 547.17221 239.0
[M+Na-2H]- 509.13303 222.8
[M]+ 488.15781 228.4
[M]- 488.15891 228.4
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.