CID 106473

68052-18-6

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

COC1=CC(=C(C=C1N)OC)N2CCOCC2

InChI

InChI=1S/C12H18N2O3/c1-15-11-8-10(12(16-2)7-9(11)13)14-3-5-17-6-4-14/h7-8H,3-6,13H2,1-2H3

InChIKey

UPKAFSNUROXYDY-UHFFFAOYSA-N

Compound name

2,5-dimethoxy-4-morpholin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 44
Patents: 238.13174 Da
Monoisotopic Mass: 0.9
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]+	239.13902	154.4
[M+Na]+	261.12096	160.7
[M-H]-	237.12446	159.8
[M+NH4]+	256.16556	169.0
[M+K]+	277.09490	159.9
[M+H-H2O]+	221.12900	146.1
[M+HCOO]-	283.12994	174.0
[M+CH3COO]-	297.14559	193.7
[M+Na-2H]-	259.10641	158.6
[M]+	238.13119	153.5
[M]-	238.13229	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe