CID 49767236

3-quinolineethanol, .alpha.-[2-(dimethylamino)ethyl]-2-methoxy-6,7-dimethyl-.alpha.-1-naphthalenyl-.beta.-phenyl-

Structural Information

Molecular Formula
C34H36N2O2
SMILES
CC1=CC2=CC(=C(N=C2C=C1C)OC)C(C3=CC=CC=C3)C(CCN(C)C)(C4=CC=CC5=CC=CC=C54)O
InChI
InChI=1S/C34H36N2O2/c1-23-20-27-22-29(33(38-5)35-31(27)21-24(23)2)32(26-13-7-6-8-14-26)34(37,18-19-36(3)4)30-17-11-15-25-12-9-10-16-28(25)30/h6-17,20-22,32,37H,18-19H2,1-5H3
InChIKey
YHHGMNRWVSJMMR-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-(2-methoxy-6,7-dimethylquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.27768 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.28496 231.7
[M+Na]+ 527.26690 236.4
[M-H]- 503.27040 240.6
[M+NH4]+ 522.31150 237.5
[M+K]+ 543.24084 229.9
[M+H-H2O]+ 487.27494 218.4
[M+HCOO]- 549.27588 246.4
[M+CH3COO]- 563.29153 237.8
[M+Na-2H]- 525.25235 233.8
[M]+ 504.27713 235.4
[M]- 504.27823 235.4
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

No patent data available for this compound.