CID 49767238

2(1h)-quinolinone, 6-bromo-3-[4-(dimethylamino)-2-hydroxy-1,2-diphenylbutyl]-1-methyl-

Structural Information

Molecular Formula
C28H29BrN2O2
SMILES
CN1C2=C(C=C(C=C2)Br)C=C(C1=O)C(C3=CC=CC=C3)C(CCN(C)C)(C4=CC=CC=C4)O
InChI
InChI=1S/C28H29BrN2O2/c1-30(2)17-16-28(33,22-12-8-5-9-13-22)26(20-10-6-4-7-11-20)24-19-21-18-23(29)14-15-25(21)31(3)27(24)32/h4-15,18-19,26,33H,16-17H2,1-3H3
InChIKey
LDXQEXXDVVRCFS-UHFFFAOYSA-N
Compound name
6-bromo-3-[4-(dimethylamino)-2-hydroxy-1,2-diphenylbutyl]-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.14124 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.14852 219.0
[M+Na]+ 527.13046 225.9
[M-H]- 503.13396 229.3
[M+NH4]+ 522.17506 228.2
[M+K]+ 543.10440 213.4
[M+H-H2O]+ 487.13850 214.3
[M+HCOO]- 549.13944 233.2
[M+CH3COO]- 563.15509 241.0
[M+Na-2H]- 525.11591 221.6
[M]+ 504.14069 238.3
[M]- 504.14179 238.3
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.