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 171.0
[M+Na]+ 330.14242 171.0
[M-H]- 306.14592 177.0
[M+NH4]+ 325.18702 177.7
[M+K]+ 346.11636 166.8
[M+H-H2O]+ 290.15046 164.4
[M+HCOO]- 352.15140 183.5
[M+CH3COO]- 366.16705 196.9
[M+Na-2H]- 328.12787 176.0
[M]+ 307.15265 162.6
[M]- 307.15375 162.6
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.