CID 16740050

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

Structural Information

Molecular Formula
C29H32N2O3
SMILES
CN(C)CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)OC)OC)O
InChI
InChI=1S/C29H32N2O3/c1-31(2)18-17-29(32,23-13-9-6-10-14-23)27(21-11-7-5-8-12-21)25-20-22-19-24(33-3)15-16-26(22)30-28(25)34-4/h5-16,19-20,27,32H,17-18H2,1-4H3
InChIKey
NDCIQFVAMXGSDQ-UHFFFAOYSA-N
Compound name
1-(2,6-dimethoxyquinolin-3-yl)-4-(dimethylamino)-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

456.2413 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.24858 215.3
[M+Na]+ 479.23052 218.5
[M-H]- 455.23402 223.2
[M+NH4]+ 474.27512 222.0
[M+K]+ 495.20446 213.9
[M+H-H2O]+ 439.23856 203.2
[M+HCOO]- 501.23950 231.5
[M+CH3COO]- 515.25515 239.3
[M+Na-2H]- 477.21597 218.0
[M]+ 456.24075 218.4
[M]- 456.24185 218.4
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