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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	308.160476	171.0
[M+Na]+	330.142418	171.0
[M-H]-	306.145924	177.0
[M+NH4]+	325.187023	177.7
[M+K]+	346.116358	166.8
[M+H-H2O]+	290.150460	164.4
[M+HCOO]-	352.151401	183.5
[M+CH3COO]-	366.167051	196.9
[M+Na-2H]-	328.127866	176.0
[M]+	307.15265142	162.6
[M]-	307.15374858	162.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.