CID 5467937

Nsc660159

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CCOC(=O)/C(=C/C1=CC=NC2=CC=CC=C12)/C#N
InChI
InChI=1S/C15H12N2O2/c1-2-19-15(18)12(10-16)9-11-7-8-17-14-6-4-3-5-13(11)14/h3-9H,2H2,1H3/b12-9+
InChIKey
NHAQXIGAEKRJQM-FMIVXFBMSA-N
Compound name
ethyl (E)-2-cyano-3-quinolin-4-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08987 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 160.3
[M+Na]+ 275.07909 169.7
[M-H]- 251.08259 162.1
[M+NH4]+ 270.12369 174.9
[M+K]+ 291.05303 164.1
[M+H-H2O]+ 235.08713 146.1
[M+HCOO]- 297.08807 176.7
[M+CH3COO]- 311.10372 205.3
[M+Na-2H]- 273.06454 164.6
[M]+ 252.08932 156.4
[M]- 252.09042 156.4
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.