CID 3018096

71302-58-4

Structural Information

Molecular Formula
C19H23NO5
SMILES
CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC
InChI
InChI=1S/C19H23NO5/c1-19(2,3)14-6-8-15(9-7-14)25-12-13-10-17(23-4)18(24-5)11-16(13)20(21)22/h6-11H,12H2,1-5H3
InChIKey
MJXVEVVESMBQBK-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenoxy)methyl]-4,5-dimethoxy-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.15762 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.164896 182.3
[M+Na]+ 368.146838 188.8
[M-H]- 344.150344 189.5
[M+NH4]+ 363.191443 195.2
[M+K]+ 384.120778 182.7
[M+H-H2O]+ 328.154880 178.8
[M+HCOO]- 390.155821 205.0
[M+CH3COO]- 404.171471 209.0
[M+Na-2H]- 366.132286 187.5
[M]+ 345.15707142 187.1
[M]- 345.15816858 187.1
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.