CID 466861

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

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CC(C)COC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C19H18N2O2/c1-13(2)12-23-19(22)21-15(11-20)8-9-17-16-6-4-3-5-14(16)7-10-18(17)21/h3-10,13,15H,12H2,1-2H3
InChIKey
XVVGWGMEVUYKBG-UHFFFAOYSA-N
Compound name
2-methylpropyl 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

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 175.4
[M+Na]+ 329.12606 185.1
[M-H]- 305.12956 177.7
[M+NH4]+ 324.17066 189.2
[M+K]+ 345.10000 177.7
[M+H-H2O]+ 289.13410 160.9
[M+HCOO]- 351.13504 188.7
[M+CH3COO]- 365.15069 217.2
[M+Na-2H]- 327.11151 178.3
[M]+ 306.13629 171.5
[M]- 306.13739 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.