CID 15956247

4-cyclohexyl-6-methoxy-8-nitro-quinoline

Structural Information

Molecular Formula
C16H18N2O3
SMILES
COC1=CC2=C(C=CN=C2C(=C1)[N+](=O)[O-])C3CCCCC3
InChI
InChI=1S/C16H18N2O3/c1-21-12-9-14-13(11-5-3-2-4-6-11)7-8-17-16(14)15(10-12)18(19)20/h7-11H,2-6H2,1H3
InChIKey
ZUFFNNOTTAKJBG-UHFFFAOYSA-N
Compound name
4-cyclohexyl-6-methoxy-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.13174 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 164.8
[M+Na]+ 309.12096 169.5
[M-H]- 285.12446 170.2
[M+NH4]+ 304.16556 178.8
[M+K]+ 325.09490 161.9
[M+H-H2O]+ 269.12900 160.2
[M+HCOO]- 331.12994 183.7
[M+CH3COO]- 345.14559 196.5
[M+Na-2H]- 307.10641 171.1
[M]+ 286.13119 160.8
[M]- 286.13229 160.8
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.