CID 15979078

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

Structural Information

Molecular Formula
C28H30N2O2
SMILES
CN(C)CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=CC4=CC=CC=C4N=C3OC)O
InChI
InChI=1S/C28H30N2O2/c1-30(2)19-18-28(31,23-15-8-5-9-16-23)26(21-12-6-4-7-13-21)24-20-22-14-10-11-17-25(22)29-27(24)32-3/h4-17,20,26,31H,18-19H2,1-3H3
InChIKey
NDXMGKWEEKVBIU-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.23074 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.23802 207.2
[M+Na]+ 449.21996 210.3
[M-H]- 425.22346 215.0
[M+NH4]+ 444.26456 215.0
[M+K]+ 465.19390 204.9
[M+H-H2O]+ 409.22800 195.4
[M+HCOO]- 471.22894 223.7
[M+CH3COO]- 485.24459 233.1
[M+Na-2H]- 447.20541 211.0
[M]+ 426.23019 208.3
[M]- 426.23129 208.3
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.