CID 15956245

2,4-diisopropyl-6-methoxy-8-nitro-quinoline

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CC(C)C1=CC(=NC2=C1C=C(C=C2[N+](=O)[O-])OC)C(C)C
InChI
InChI=1S/C16H20N2O3/c1-9(2)12-8-14(10(3)4)17-16-13(12)6-11(21-5)7-15(16)18(19)20/h6-10H,1-5H3
InChIKey
ONRPQBKSUAAIKU-UHFFFAOYSA-N
Compound name
6-methoxy-8-nitro-2,4-di(propan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.1474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 166.4
[M+Na]+ 311.136618 173.6
[M-H]- 287.140124 169.9
[M+NH4]+ 306.181223 181.4
[M+K]+ 327.110558 167.1
[M+H-H2O]+ 271.144660 163.6
[M+HCOO]- 333.145601 186.4
[M+CH3COO]- 347.161251 202.1
[M+Na-2H]- 309.122066 170.3
[M]+ 288.14685142 168.5
[M]- 288.14794858 168.5
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

No patent data available for this compound.