CID 466907

Butyl 6-acetamido-2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CCCCOC(=O)N1C(C=CC2=C1C=CC(=C2)NC(=O)C)C#N
InChI
InChI=1S/C17H19N3O3/c1-3-4-9-23-17(22)20-15(11-18)7-5-13-10-14(19-12(2)21)6-8-16(13)20/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,21)
InChIKey
OGCUVBXCPIPTOB-UHFFFAOYSA-N
Compound name
butyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

313.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 174.9
[M+Na]+ 336.13186 183.0
[M-H]- 312.13536 176.6
[M+NH4]+ 331.17646 187.3
[M+K]+ 352.10580 178.5
[M+H-H2O]+ 296.13990 160.4
[M+HCOO]- 358.14084 190.4
[M+CH3COO]- 372.15649 219.1
[M+Na-2H]- 334.11731 176.6
[M]+ 313.14209 171.5
[M]- 313.14319 171.5
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

No patent data available for this compound.