CID 610182

2,4-dimethylbenzo[h]quinoline

Structural Information

Molecular Formula
C15H13N
SMILES
CC1=CC(=NC2=C1C=CC3=CC=CC=C32)C
InChI
InChI=1S/C15H13N/c1-10-9-11(2)16-15-13(10)8-7-12-5-3-4-6-14(12)15/h3-9H,1-2H3
InChIKey
VPSXZUORXQYBAT-UHFFFAOYSA-N
Compound name
2,4-dimethylbenzo[h]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.1048 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.112076 143.9
[M+Na]+ 230.094018 155.5
[M-H]- 206.097524 149.0
[M+NH4]+ 225.138623 164.4
[M+K]+ 246.067958 150.2
[M+H-H2O]+ 190.102060 136.6
[M+HCOO]- 252.103001 166.3
[M+CH3COO]- 266.118651 158.0
[M+Na-2H]- 228.079466 154.2
[M]+ 207.10425142 146.5
[M]- 207.10534858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe