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 176.1
[M+Na]+ 344.12572 182.5
[M-H]- 320.12922 183.7
[M+NH4]+ 339.17032 190.3
[M+K]+ 360.09966 174.3
[M+H-H2O]+ 304.13376 172.3
[M+HCOO]- 366.13470 197.6
[M+CH3COO]- 380.15035 205.1
[M+Na-2H]- 342.11117 184.0
[M]+ 321.13595 176.7
[M]- 321.13705 176.7
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.