CID 49767132

1-(6-bromo-2-methoxy-7-methyl-3-quinolyl)-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C29H30BrFN2O2
SMILES
CC1=CC2=NC(=C(C=C2C=C1Br)C(C3=CC=CC=C3)C(CCN(C)C)(C4=CC(=CC=C4)F)O)OC
InChI
InChI=1S/C29H30BrFN2O2/c1-19-15-26-21(17-25(19)30)16-24(28(32-26)35-4)27(20-9-6-5-7-10-20)29(34,13-14-33(2)3)22-11-8-12-23(31)18-22/h5-12,15-18,27,34H,13-14H2,1-4H3
InChIKey
WDGBTSDUISDUOG-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxy-7-methylquinolin-3-yl)-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.14746 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.15474 229.5
[M+Na]+ 559.13668 236.5
[M-H]- 535.14018 238.5
[M+NH4]+ 554.18128 237.6
[M+K]+ 575.11062 223.9
[M+H-H2O]+ 519.14472 223.6
[M+HCOO]- 581.14566 242.0
[M+CH3COO]- 595.16131 247.7
[M+Na-2H]- 557.12213 230.0
[M]+ 536.14691 249.0
[M]- 536.14801 249.0
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.