CID 459724

2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]quinoline

Structural Information

Molecular Formula
C21H18N2
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)C3=NC4=CC=CC=C4C=C3)C
InChI
InChI=1S/C21H18N2/c1-15-7-8-16(2)23(15)19-12-9-18(10-13-19)21-14-11-17-5-3-4-6-20(17)22-21/h3-14H,1-2H3
InChIKey
QYSORXKXUWGODT-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.147 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15428 172.1
[M+Na]+ 321.13622 183.1
[M-H]- 297.13972 181.1
[M+NH4]+ 316.18082 187.5
[M+K]+ 337.11016 175.5
[M+H-H2O]+ 281.14426 162.0
[M+HCOO]- 343.14520 194.5
[M+CH3COO]- 357.16085 184.4
[M+Na-2H]- 319.12167 176.6
[M]+ 298.14645 174.3
[M]- 298.14755 174.3
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.