CID 459729

6-methoxy-8-(2-methyl-5-phenyl-1-pyrryl)-quinoline

Structural Information

Molecular Formula
C21H18N2O
SMILES
CC1=CC=C(N1C2=C3C(=CC(=C2)OC)C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N2O/c1-15-10-11-19(16-7-4-3-5-8-16)23(15)20-14-18(24-2)13-17-9-6-12-22-21(17)20/h3-14H,1-2H3
InChIKey
HEYKKZQZQWCJOK-UHFFFAOYSA-N
Compound name
6-methoxy-8-(2-methyl-5-phenylpyrrol-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1419 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14918 175.6
[M+Na]+ 337.13112 186.3
[M-H]- 313.13462 184.6
[M+NH4]+ 332.17572 190.2
[M+K]+ 353.10506 179.5
[M+H-H2O]+ 297.13916 165.2
[M+HCOO]- 359.14010 198.2
[M+CH3COO]- 373.15575 187.7
[M+Na-2H]- 335.11657 180.1
[M]+ 314.14135 179.1
[M]- 314.14245 179.1
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.