CID 229536

102241-35-0

Structural Information

Molecular Formula
C21H16N2O2
SMILES
CCC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=C2C=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H16N2O2/c1-2-14-7-9-15(10-8-14)22-21-19-6-4-3-5-17(19)18-12-11-16(23(24)25)13-20(18)21/h3-13H,2H2,1H3
InChIKey
FRPKQMMWQYKMQP-UHFFFAOYSA-N
Compound name
N-(4-ethylphenyl)-2-nitrofluoren-9-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1212 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.128476 177.0
[M+Na]+ 351.110418 184.2
[M-H]- 327.113924 187.0
[M+NH4]+ 346.155023 194.0
[M+K]+ 367.084358 174.4
[M+H-H2O]+ 311.118460 172.8
[M+HCOO]- 373.119401 202.5
[M+CH3COO]- 387.135051 210.4
[M+Na-2H]- 349.095866 183.7
[M]+ 328.12065142 177.2
[M]- 328.12174858 177.2
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.