CID 466868

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

Structural Information

Molecular Formula
C21H14N2O2
SMILES
C1=CC=C(C=C1)OC(=O)N2C(C=CC3=C2C=CC4=CC=CC=C43)C#N
InChI
InChI=1S/C21H14N2O2/c22-14-16-11-12-19-18-9-5-4-6-15(18)10-13-20(19)23(16)21(24)25-17-7-2-1-3-8-17/h1-13,16H
InChIKey
AKJSAWQPDURAIW-UHFFFAOYSA-N
Compound name
phenyl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.10553 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11281 182.2
[M+Na]+ 349.09475 192.9
[M-H]- 325.09825 186.7
[M+NH4]+ 344.13935 194.5
[M+K]+ 365.06869 182.9
[M+H-H2O]+ 309.10279 166.2
[M+HCOO]- 371.10373 196.7
[M+CH3COO]- 385.11938 190.7
[M+Na-2H]- 347.08020 186.8
[M]+ 326.10498 176.7
[M]- 326.10608 176.7
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.