CID 201633

6425-11-2

Structural Information

Molecular Formula
C15H21N3O4
SMILES
C1COCCN1C(C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3
InChI
InChI=1S/C15H21N3O4/c19-18(20)14-3-1-13(2-4-14)15(16-5-9-21-10-6-16)17-7-11-22-12-8-17/h1-4,15H,5-12H2
InChIKey
ZXAXYKMMBOCCER-UHFFFAOYSA-N
Compound name
4-[morpholin-4-yl-(4-nitrophenyl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

307.1532 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16048 169.7
[M+Na]+ 330.14242 181.6
[M+NH4]+ 325.18702 176.5
[M+K]+ 346.11636 179.1
[M-H]- 306.14592 177.6
[M+Na-2H]- 328.12787 175.3
[M]+ 307.15265 173.3
[M]- 307.15375 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.