CID 16227694

Ethyl 2-(cyanomethyl)-4-methylquinoline-3-carboxylate

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N=C1CC#N)C
InChI
InChI=1S/C15H14N2O2/c1-3-19-15(18)14-10(2)11-6-4-5-7-12(11)17-13(14)8-9-16/h4-7H,3,8H2,1-2H3
InChIKey
NWEQJKBEJLDPPZ-UHFFFAOYSA-N
Compound name
ethyl 2-(cyanomethyl)-4-methylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 159.1
[M+Na]+ 277.09475 172.4
[M+NH4]+ 272.13935 163.4
[M+K]+ 293.06869 162.2
[M-H]- 253.09825 153.7
[M+Na-2H]- 275.08020 162.3
[M]+ 254.10498 158.7
[M]- 254.10608 158.7
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.