CID 49767133

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

Structural Information

Molecular Formula
C29H32N2O2
SMILES
CC1=CC2=CC(=C(N=C2C=C1)OC)C(C3=CC=CC=C3)C(CCN(C)C)(C4=CC=CC=C4)O
InChI
InChI=1S/C29H32N2O2/c1-21-15-16-26-23(19-21)20-25(28(30-26)33-4)27(22-11-7-5-8-12-22)29(32,17-18-31(2)3)24-13-9-6-10-14-24/h5-16,19-20,27,32H,17-18H2,1-4H3
InChIKey
IXWTWGMFJUULGS-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-(2-methoxy-6-methylquinolin-3-yl)-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

440.24637 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.25365 212.3
[M+Na]+ 463.23559 215.8
[M-H]- 439.23909 220.3
[M+NH4]+ 458.28019 219.8
[M+K]+ 479.20953 210.4
[M+H-H2O]+ 423.24363 200.4
[M+HCOO]- 485.24457 228.4
[M+CH3COO]- 499.26022 237.2
[M+Na-2H]- 461.22104 214.8
[M]+ 440.24582 214.1
[M]- 440.24692 214.1
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

patents stripe