CID 5142459

94871-51-9

Structural Information

Molecular Formula
C21H18N2
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(C=C2)C4=CC=CC=C4C=C3
InChI
InChI=1S/C21H18N2/c1-23(2)17-10-7-16(8-11-17)20-14-12-19-18-6-4-3-5-15(18)9-13-21(19)22-20/h3-14H,1-2H3
InChIKey
REETXQOLVFMTDO-UHFFFAOYSA-N
Compound name
4-benzo[f]quinolin-3-yl-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

298.147 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15428 170.7
[M+Na]+ 321.13622 179.9
[M-H]- 297.13972 179.3
[M+NH4]+ 316.18082 186.7
[M+K]+ 337.11016 173.7
[M+H-H2O]+ 281.14426 160.4
[M+HCOO]- 343.14520 193.4
[M+CH3COO]- 357.16085 182.6
[M+Na-2H]- 319.12167 179.5
[M]+ 298.14645 172.8
[M]- 298.14755 172.8
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

patents stripe