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]+ 289.15468 166.4
[M+Na]+ 311.13662 173.6
[M-H]- 287.14012 169.9
[M+NH4]+ 306.18122 181.4
[M+K]+ 327.11056 167.1
[M+H-H2O]+ 271.14466 163.6
[M+HCOO]- 333.14560 186.4
[M+CH3COO]- 347.16125 202.1
[M+Na-2H]- 309.12207 170.3
[M]+ 288.14685 168.5
[M]- 288.14795 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.