CID 5376617

2-[(e)-2-(3-nitrophenyl)vinyl]quinoline

Structural Information

Molecular Formula
C17H12N2O2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O2/c20-19(21)16-6-3-4-13(12-16)8-10-15-11-9-14-5-1-2-7-17(14)18-15/h1-12H/b10-8+
InChIKey
URIXDBULDXTIHZ-CSKARUKUSA-N
Compound name
2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

17
Patents

276.08987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09715 162.2
[M+Na]+ 299.07909 169.1
[M-H]- 275.08259 168.3
[M+NH4]+ 294.12369 176.6
[M+K]+ 315.05303 159.4
[M+H-H2O]+ 259.08713 157.5
[M+HCOO]- 321.08807 185.1
[M+CH3COO]- 335.10372 193.7
[M+Na-2H]- 297.06454 171.4
[M]+ 276.08932 160.2
[M]- 276.09042 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe