CID 309217

Nsc211413

Structural Information

Molecular Formula
C24H21NO3
SMILES
COC1=C(C(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4)OC)OC
InChI
InChI=1S/C24H21NO3/c1-26-22-14-13-18(23(27-2)24(22)28-3)21-15-19(16-9-5-4-6-10-16)17-11-7-8-12-20(17)25-21/h4-15H,1-3H3
InChIKey
QTTSCHUBQCZTCF-UHFFFAOYSA-N
Compound name
4-phenyl-2-(2,3,4-trimethoxyphenyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15213 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15941 191.8
[M+Na]+ 394.14135 200.6
[M-H]- 370.14485 201.3
[M+NH4]+ 389.18595 203.2
[M+K]+ 410.11529 195.0
[M+H-H2O]+ 354.14939 180.2
[M+HCOO]- 416.15033 212.4
[M+CH3COO]- 430.16598 202.3
[M+Na-2H]- 392.12680 195.9
[M]+ 371.15158 196.4
[M]- 371.15268 196.4
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.