CID 3002269

2,4-dicyclohexyl-8-nitro quinoline

Structural Information

Molecular Formula
C21H26N2O2
SMILES
C1CCC(CC1)C2=CC(=NC3=C2C=CC=C3[N+](=O)[O-])C4CCCCC4
InChI
InChI=1S/C21H26N2O2/c24-23(25)20-13-7-12-17-18(15-8-3-1-4-9-15)14-19(22-21(17)20)16-10-5-2-6-11-16/h7,12-16H,1-6,8-11H2
InChIKey
MXQLDYGMPBTYNW-UHFFFAOYSA-N
Compound name
2,4-dicyclohexyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.19943 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 181.6
[M+Na]+ 361.18865 182.1
[M-H]- 337.19215 188.2
[M+NH4]+ 356.23325 192.4
[M+K]+ 377.16259 172.7
[M+H-H2O]+ 321.19669 175.0
[M+HCOO]- 383.19763 195.3
[M+CH3COO]- 397.21328 206.7
[M+Na-2H]- 359.17410 184.2
[M]+ 338.19888 170.8
[M]- 338.19998 170.8
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

No patent data available for this compound.