CID 3055487

Brn 5609150

Structural Information

Molecular Formula
C19H14N2O3
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(O3)NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H14N2O3/c22-21(23)15-8-6-14(7-9-15)20-19-12-10-17-16-4-2-1-3-13(16)5-11-18(17)24-19/h1-12,19-20H
InChIKey
IYYWHMGQBWXWAL-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)-3H-benzo[f]chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10043 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10771 168.7
[M+Na]+ 341.08965 174.3
[M-H]- 317.09315 177.3
[M+NH4]+ 336.13425 181.8
[M+K]+ 357.06359 166.4
[M+H-H2O]+ 301.09769 163.7
[M+HCOO]- 363.09863 190.3
[M+CH3COO]- 377.11428 205.3
[M+Na-2H]- 339.07510 179.4
[M]+ 318.09988 166.7
[M]- 318.10098 166.7
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.