CID 110187

4-morpholino-2,5-diisopropoxynitrobenzene

Structural Information

Molecular Formula
C16H24N2O5
SMILES
CC(C)OC1=CC(=C(C=C1N2CCOCC2)OC(C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H24N2O5/c1-11(2)22-15-10-14(18(19)20)16(23-12(3)4)9-13(15)17-5-7-21-8-6-17/h9-12H,5-8H2,1-4H3
InChIKey
QKOQWHQAZFRCQI-UHFFFAOYSA-N
Compound name
4-[4-nitro-2,5-di(propan-2-yloxy)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

324.16852 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.175796 176.5
[M+Na]+ 347.157738 179.6
[M-H]- 323.161244 181.7
[M+NH4]+ 342.202343 186.7
[M+K]+ 363.131678 175.6
[M+H-H2O]+ 307.165780 172.2
[M+HCOO]- 369.166721 193.3
[M+CH3COO]- 383.182371 204.6
[M+Na-2H]- 345.143186 178.7
[M]+ 324.16797142 176.0
[M]- 324.16906858 176.0
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

patents stripe