CID 22110115

941203-82-3

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₃

SMILES

COC1=NC(=NC(=C1C=O)N2CCOCC2)N

InChI

InChI=1S/C10H14N4O3/c1-16-9-7(6-15)8(12-10(11)13-9)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H2,11,12,13)

InChIKey

ZWDVGBAIHWYPER-UHFFFAOYSA-N

Compound name

2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 238.1066 Da
Monoisotopic Mass: -0.3
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]+	239.113876	154.5
[M+Na]+	261.095818	161.9
[M-H]-	237.099324	157.2
[M+NH4]+	256.140423	166.1
[M+K]+	277.069758	160.4
[M+H-H2O]+	221.103860	144.7
[M+HCOO]-	283.104801	172.1
[M+CH3COO]-	297.120451	192.7
[M+Na-2H]-	259.081266	159.4
[M]+	238.10605142	153.0
[M]-	238.10714858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe