CID 720601

282104-73-8

Structural Information

Molecular Formula
C17H19NO3
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H19NO3/c1-12(2)16-9-4-13(3)10-17(16)21-11-14-5-7-15(8-6-14)18(19)20/h4-10,12H,11H2,1-3H3
InChIKey
FDOUPKOYCQGJPR-UHFFFAOYSA-N
Compound name
4-methyl-2-[(4-nitrophenyl)methoxy]-1-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 165.9
[M+Na]+ 308.12572 181.0
[M+NH4]+ 303.17032 174.1
[M+K]+ 324.09966 176.0
[M-H]- 284.12922 171.8
[M+Na-2H]- 306.11117 174.1
[M]+ 285.13595 169.8
[M]- 285.13705 169.8
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.