CID 49767263

1-(6-bromo-2-methoxy-3-quinolyl)-2-(6-bromo-2-naphthyl)-4-morpholino-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C34H32Br2N2O3
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCN4CCOCC4)(C5=CC6=C(C=C5)C=C(C=C6)Br)O
InChI
InChI=1S/C34H32Br2N2O3/c1-40-33-30(22-26-21-29(36)11-12-31(26)37-33)32(23-5-3-2-4-6-23)34(39,13-14-38-15-17-41-18-16-38)27-9-7-25-20-28(35)10-8-24(25)19-27/h2-12,19-22,32,39H,13-18H2,1H3
InChIKey
ISGNYIRWKIYUDX-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-2-(6-bromonaphthalen-2-yl)-4-morpholin-4-yl-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.07794 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.08522 237.9
[M+Na]+ 697.06716 240.9
[M-H]- 673.07066 247.5
[M+NH4]+ 692.11176 240.7
[M+K]+ 713.04110 228.9
[M+H-H2O]+ 657.07520 241.5
[M+HCOO]- 719.07614 241.1
[M+CH3COO]- 733.09179 242.6
[M+Na-2H]- 695.05261 238.9
[M]+ 674.07739 269.2
[M]- 674.07849 269.2
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.