CID 108549

61354-93-6

Structural Information

Molecular Formula
C18H15N3O4
SMILES
CCN1C(=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=CC3=CC=CC=C31
InChI
InChI=1S/C18H15N3O4/c1-2-19-15(9-7-13-5-3-4-6-17(13)19)11-14-8-10-16(20(22)23)12-18(14)21(24)25/h3-12H,2H2,1H3
InChIKey
XATSRGCAHHALNI-UHFFFAOYSA-N
Compound name
2-[(2,4-dinitrophenyl)methylidene]-1-ethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.10626 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11354 179.1
[M+Na]+ 360.09548 183.7
[M-H]- 336.09898 184.9
[M+NH4]+ 355.14008 189.7
[M+K]+ 376.06942 170.7
[M+H-H2O]+ 320.10352 178.2
[M+HCOO]- 382.10446 200.1
[M+CH3COO]- 396.12011 201.5
[M+Na-2H]- 358.08093 186.7
[M]+ 337.10571 175.1
[M]- 337.10681 175.1
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

patents stripe