CID 3002896

2,4-dicyclopentyl-8-nitro quinoline

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1CCC(C1)C2=CC(=NC3=C2C=CC=C3[N+](=O)[O-])C4CCCC4
InChI
InChI=1S/C19H22N2O2/c22-21(23)18-11-5-10-15-16(13-6-1-2-7-13)12-17(20-19(15)18)14-8-3-4-9-14/h5,10-14H,1-4,6-9H2
InChIKey
VVAGJUVJWFVHBP-UHFFFAOYSA-N
Compound name
2,4-dicyclopentyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.16812 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 175.1
[M+Na]+ 333.15734 178.3
[M-H]- 309.16084 183.6
[M+NH4]+ 328.20194 191.2
[M+K]+ 349.13128 169.6
[M+H-H2O]+ 293.16538 171.0
[M+HCOO]- 355.16632 194.2
[M+CH3COO]- 369.18197 199.7
[M+Na-2H]- 331.14279 175.6
[M]+ 310.16757 168.2
[M]- 310.16867 168.2
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.