CID 378782

Nsc661957

Structural Information

Molecular Formula
C29H26N2O2
SMILES
COC1=CC(=C(C=C1)OC)C(CC2=CC=NC3=CC=CC=C23)CC4=CC=NC5=CC=CC=C45
InChI
InChI=1S/C29H26N2O2/c1-32-23-11-12-29(33-2)26(19-23)22(17-20-13-15-30-27-9-5-3-7-24(20)27)18-21-14-16-31-28-10-6-4-8-25(21)28/h3-16,19,22H,17-18H2,1-2H3
InChIKey
VWXFLVJKLMLMEG-UHFFFAOYSA-N
Compound name
4-[2-(2,5-dimethoxyphenyl)-3-quinolin-4-ylpropyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.19943 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20671 211.2
[M+Na]+ 457.18865 218.4
[M-H]- 433.19215 219.1
[M+NH4]+ 452.23325 218.7
[M+K]+ 473.16259 210.5
[M+H-H2O]+ 417.19669 197.2
[M+HCOO]- 479.19763 228.0
[M+CH3COO]- 493.21328 218.9
[M+Na-2H]- 455.17410 216.0
[M]+ 434.19888 214.8
[M]- 434.19998 214.8
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.