CID 15979782

4-amino-1-(6-bromo-2-methoxy-3-quinolyl)-1,2-diphenyl-butan-2-ol

Structural Information

Molecular Formula
C26H25BrN2O2
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCN)(C4=CC=CC=C4)O
InChI
InChI=1S/C26H25BrN2O2/c1-31-25-22(17-19-16-21(27)12-13-23(19)29-25)24(18-8-4-2-5-9-18)26(30,14-15-28)20-10-6-3-7-11-20/h2-13,16-17,24,30H,14-15,28H2,1H3
InChIKey
LHXHZNYTXMYKJG-UHFFFAOYSA-N
Compound name
4-amino-1-(6-bromo-2-methoxyquinolin-3-yl)-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

476.10995 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.11723 211.6
[M+Na]+ 499.09917 218.2
[M-H]- 475.10267 220.1
[M+NH4]+ 494.14377 220.9
[M+K]+ 515.07311 204.9
[M+H-H2O]+ 459.10721 207.4
[M+HCOO]- 521.10815 225.3
[M+CH3COO]- 535.12380 220.1
[M+Na-2H]- 497.08462 215.6
[M]+ 476.10940 228.6
[M]- 476.11050 228.6
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