CID 6448036

9-(4-nitrobenzylidene)-1-azafluorene

Structural Information

Molecular Formula
C19H12N2O2
SMILES
C1=CC=C\2C(=C1)C3=C(/C2=C/C4=CC=C(C=C4)[N+](=O)[O-])N=CC=C3
InChI
InChI=1S/C19H12N2O2/c22-21(23)14-9-7-13(8-10-14)12-18-16-5-2-1-4-15(16)17-6-3-11-20-19(17)18/h1-12H/b18-12+
InChIKey
GBRGLUCMIMJAHQ-LDADJPATSA-N
Compound name
(9E)-9-[(4-nitrophenyl)methylidene]indeno[2,1-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.08987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09715 168.6
[M+Na]+ 323.07909 176.4
[M-H]- 299.08259 176.1
[M+NH4]+ 318.12369 184.8
[M+K]+ 339.05303 165.9
[M+H-H2O]+ 283.08713 164.2
[M+HCOO]- 345.08807 191.2
[M+CH3COO]- 359.10372 198.6
[M+Na-2H]- 321.06454 176.2
[M]+ 300.08932 167.1
[M]- 300.09042 167.1
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.