CID 49767232

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

Structural Information

Molecular Formula
C27H27BrN2O
SMILES
CN(C)CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=CN=C4C=CC(=CC4=C3)Br)O
InChI
InChI=1S/C27H27BrN2O/c1-30(2)16-15-27(31,23-11-7-4-8-12-23)26(20-9-5-3-6-10-20)22-17-21-18-24(28)13-14-25(21)29-19-22/h3-14,17-19,26,31H,15-16H2,1-2H3
InChIKey
UACHCLCGNMGLQW-UHFFFAOYSA-N
Compound name
1-(6-bromoquinolin-3-yl)-4-(dimethylamino)-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

474.13068 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.13796 212.1
[M+Na]+ 497.11990 217.8
[M-H]- 473.12340 221.8
[M+NH4]+ 492.16450 222.1
[M+K]+ 513.09384 205.1
[M+H-H2O]+ 457.12794 207.7
[M+HCOO]- 519.12888 226.4
[M+CH3COO]- 533.14453 220.7
[M+Na-2H]- 495.10535 216.4
[M]+ 474.13013 229.7
[M]- 474.13123 229.7
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