CID 15979778

1-(6-chloro-2-methoxy-3-quinolyl)-4-(dimethylamino)-1,2-diphenyl-butan-2-ol

Structural Information

Molecular Formula
C28H29ClN2O2
SMILES
CN(C)CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Cl)OC)O
InChI
InChI=1S/C28H29ClN2O2/c1-31(2)17-16-28(32,22-12-8-5-9-13-22)26(20-10-6-4-7-11-20)24-19-21-18-23(29)14-15-25(21)30-27(24)33-3/h4-15,18-19,26,32H,16-17H2,1-3H3
InChIKey
CPDZTGGWXHSHHV-UHFFFAOYSA-N
Compound name
1-(6-chloro-2-methoxyquinolin-3-yl)-4-(dimethylamino)-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.19174 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.19902 213.9
[M+Na]+ 483.18096 218.8
[M-H]- 459.18446 221.9
[M+NH4]+ 478.22556 221.6
[M+K]+ 499.15490 212.1
[M+H-H2O]+ 443.18900 202.7
[M+HCOO]- 505.18994 226.0
[M+CH3COO]- 519.20559 237.6
[M+Na-2H]- 481.16641 216.5
[M]+ 460.19119 218.1
[M]- 460.19229 218.1
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.