CID 459725

2-[p-(2,5-dimethyl-1-pyrryl)phenyl]-8-methylquinoline

Structural Information

Molecular Formula
C22H20N2
SMILES
CC1=C2C(=CC=C1)C=CC(=N2)C3=CC=C(C=C3)N4C(=CC=C4C)C
InChI
InChI=1S/C22H20N2/c1-15-5-4-6-19-11-14-21(23-22(15)19)18-9-12-20(13-10-18)24-16(2)7-8-17(24)3/h4-14H,1-3H3
InChIKey
XVMJESVGEDQGOK-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-8-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16266 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16994 177.0
[M+Na]+ 335.15188 188.5
[M-H]- 311.15538 186.2
[M+NH4]+ 330.19648 192.2
[M+K]+ 351.12582 180.7
[M+H-H2O]+ 295.15992 166.9
[M+HCOO]- 357.16086 199.1
[M+CH3COO]- 371.17651 189.2
[M+Na-2H]- 333.13733 180.3
[M]+ 312.16211 180.0
[M]- 312.16321 180.0
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.