CID 466860

Butyl 3-cyano-3h-benzo[f]quinoline-4-carboxylate

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CCCCOC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C19H18N2O2/c1-2-3-12-23-19(22)21-15(13-20)9-10-17-16-7-5-4-6-14(16)8-11-18(17)21/h4-11,15H,2-3,12H2,1H3
InChIKey
YSWJZESSPLTGOI-UHFFFAOYSA-N
Compound name
butyl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.13684 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 174.4
[M+Na]+ 329.12606 184.5
[M-H]- 305.12956 176.7
[M+NH4]+ 324.17066 188.3
[M+K]+ 345.10000 176.5
[M+H-H2O]+ 289.13410 159.7
[M+HCOO]- 351.13504 188.7
[M+CH3COO]- 365.15069 216.4
[M+Na-2H]- 327.11151 178.4
[M]+ 306.13629 171.1
[M]- 306.13739 171.1
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

No patent data available for this compound.