CID 459726

6-chloro-8-(2,5-dimethylpyrrol-1-yl)quinoline

Structural Information

Molecular Formula
C15H13ClN2
SMILES
CC1=CC=C(N1C2=C3C(=CC(=C2)Cl)C=CC=N3)C
InChI
InChI=1S/C15H13ClN2/c1-10-5-6-11(2)18(10)14-9-13(16)8-12-4-3-7-17-15(12)14/h3-9H,1-2H3
InChIKey
MMNWDMKXCVLSKN-UHFFFAOYSA-N
Compound name
6-chloro-8-(2,5-dimethylpyrrol-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07672 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08400 156.8
[M+Na]+ 279.06594 169.9
[M-H]- 255.06944 162.8
[M+NH4]+ 274.11054 175.5
[M+K]+ 295.03988 162.9
[M+H-H2O]+ 239.07398 148.9
[M+HCOO]- 301.07492 175.4
[M+CH3COO]- 315.09057 170.4
[M+Na-2H]- 277.05139 161.9
[M]+ 256.07617 161.8
[M]- 256.07727 161.8
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.