CID 4663035

2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline

Structural Information

Molecular Formula
C22H16ClNO
SMILES
COC1=CC=C(C=C1)C2=C(C(=NC3=CC=CC=C32)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H16ClNO/c1-25-17-13-11-16(12-14-17)20-18-9-5-6-10-19(18)24-22(23)21(20)15-7-3-2-4-8-15/h2-14H,1H3
InChIKey
DLDDDHXUSQFBFR-UHFFFAOYSA-N
Compound name
2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

345.09204 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09932 182.1
[M+Na]+ 368.08126 192.2
[M-H]- 344.08476 191.2
[M+NH4]+ 363.12586 195.5
[M+K]+ 384.05520 184.1
[M+H-H2O]+ 328.08930 171.7
[M+HCOO]- 390.09024 198.7
[M+CH3COO]- 404.10589 193.2
[M+Na-2H]- 366.06671 187.6
[M]+ 345.09149 185.4
[M]- 345.09259 185.4
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

patents stripe