CID 3945137

4,5-diphenyl-2-(4-nitrobenzylideneamino)-3-furancarbonitrile

Structural Information

Molecular Formula
C24H15N3O3
SMILES
C1=CC=C(C=C1)C2=C(OC(=C2C#N)N=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C24H15N3O3/c25-15-21-22(18-7-3-1-4-8-18)23(19-9-5-2-6-10-19)30-24(21)26-16-17-11-13-20(14-12-17)27(28)29/h1-14,16H
InChIKey
IKQZCHVMMIOODJ-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.11133 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11861 208.3
[M+Na]+ 416.10055 216.7
[M-H]- 392.10405 218.9
[M+NH4]+ 411.14515 216.5
[M+K]+ 432.07449 204.8
[M+H-H2O]+ 376.10859 194.6
[M+HCOO]- 438.10953 229.8
[M+CH3COO]- 452.12518 227.4
[M+Na-2H]- 414.08600 210.3
[M]+ 393.11078 202.5
[M]- 393.11188 202.5
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.