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]+ 317.18596 176.1
[M+Na]+ 339.16790 184.0
[M-H]- 315.17140 180.1
[M+NH4]+ 334.21250 190.7
[M+K]+ 355.14184 177.3
[M+H-H2O]+ 299.17594 174.2
[M+HCOO]- 361.17688 194.4
[M+CH3COO]- 375.19253 205.9
[M+Na-2H]- 337.15335 184.2
[M]+ 316.17813 179.1
[M]- 316.17923 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.