CID 671666

Nsc101117

Structural Information

Molecular Formula
C20H15NO3
SMILES
COC1=CC=C(C=C1)/C=C\2/CC3=C4C2=CC=C(C4=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H15NO3/c1-24-16-7-5-13(6-8-16)11-15-12-14-3-2-4-18-19(21(22)23)10-9-17(15)20(14)18/h2-11H,12H2,1H3/b15-11-
InChIKey
PPLPIJDWPYDQNE-PTNGSMBKSA-N
Compound name
(2Z)-2-[(4-methoxyphenyl)methylidene]-5-nitro-1H-acenaphthylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1052 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.112476 174.3
[M+Na]+ 340.094418 181.2
[M-H]- 316.097924 182.2
[M+NH4]+ 335.139023 191.6
[M+K]+ 356.068358 171.7
[M+H-H2O]+ 300.102460 170.8
[M+HCOO]- 362.103401 196.5
[M+CH3COO]- 376.119051 203.5
[M+Na-2H]- 338.079866 180.1
[M]+ 317.10465142 174.8
[M]- 317.10574858 174.8
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.