CID 3008475

2,4-diisopropyl-8-nitro-quinoline

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC(C)C1=CC(=NC2=C1C=CC=C2[N+](=O)[O-])C(C)C
InChI
InChI=1S/C15H18N2O2/c1-9(2)12-8-13(10(3)4)16-15-11(12)6-5-7-14(15)17(18)19/h5-10H,1-4H3
InChIKey
DNMPKCQUXCLKCK-UHFFFAOYSA-N
Compound name
8-nitro-2,4-di(propan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.13684 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 158.6
[M+Na]+ 281.12606 165.5
[M-H]- 257.12956 162.0
[M+NH4]+ 276.17066 174.7
[M+K]+ 297.10000 158.7
[M+H-H2O]+ 241.13410 156.0
[M+HCOO]- 303.13504 178.8
[M+CH3COO]- 317.15069 195.9
[M+Na-2H]- 279.11151 163.5
[M]+ 258.13629 158.6
[M]- 258.13739 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.