CID 49767234

1-(6-bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-1-phenyl-2-pyrazin-2-yl-butan-2-ol

Structural Information

Molecular Formula
C26H27BrN4O2
SMILES
CN(C)CCC(C1=NC=CN=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI
InChI=1S/C26H27BrN4O2/c1-31(2)14-11-26(32,23-17-28-12-13-29-23)24(18-7-5-4-6-8-18)21-16-19-15-20(27)9-10-22(19)30-25(21)33-3/h4-10,12-13,15-17,24,32H,11,14H2,1-3H3
InChIKey
UIHODFLVSPFTNZ-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-1-phenyl-2-pyrazin-2-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.13174 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.13902 215.3
[M+Na]+ 529.12096 221.9
[M-H]- 505.12446 223.1
[M+NH4]+ 524.16556 221.7
[M+K]+ 545.09490 209.6
[M+H-H2O]+ 489.12900 209.8
[M+HCOO]- 551.12994 227.6
[M+CH3COO]- 565.14559 239.8
[M+Na-2H]- 527.10641 220.5
[M]+ 506.13119 235.2
[M]- 506.13229 235.2
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.