CID 4086478

14851-08-2

Structural Information

Molecular Formula
C20H19NO3
SMILES
CC1=C(C=CC2=CC=CC=C12)OC(C)(C)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H19NO3/c1-14-18-7-5-4-6-15(18)8-13-19(14)24-20(2,3)16-9-11-17(12-10-16)21(22)23/h4-13H,1-3H3
InChIKey
XLNWRKTUAZDOFR-UHFFFAOYSA-N
Compound name
1-methyl-2-[2-(4-nitrophenyl)propan-2-yloxy]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 173.9
[M+Na]+ 344.12572 190.3
[M+NH4]+ 339.17032 182.9
[M+K]+ 360.09966 184.5
[M-H]- 320.12922 180.6
[M+Na-2H]- 342.11117 183.2
[M]+ 321.13595 178.4
[M]- 321.13705 178.4
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.