CID 15956246

2,4-ditert-butyl-6-methoxy-8-nitro-quinoline

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CC(C)(C)C1=CC(=NC2=C1C=C(C=C2[N+](=O)[O-])OC)C(C)(C)C
InChI
InChI=1S/C18H24N2O3/c1-17(2,3)13-10-15(18(4,5)6)19-16-12(13)8-11(23-7)9-14(16)20(21)22/h8-10H,1-7H3
InChIKey
COLKDSMGTVQANL-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-methoxy-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.17868 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 176.1
[M+Na]+ 339.167898 184.0
[M-H]- 315.171404 180.1
[M+NH4]+ 334.212503 190.7
[M+K]+ 355.141838 177.3
[M+H-H2O]+ 299.175940 174.2
[M+HCOO]- 361.176881 194.4
[M+CH3COO]- 375.192531 205.9
[M+Na-2H]- 337.153346 184.2
[M]+ 316.17813142 179.1
[M]- 316.17922858 179.1
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.