CID 2736218

387350-76-7

Structural Information

Molecular Formula

C₁₁H₁₈N₄O₂

SMILES

COC1=CC(=NC(=N1)CN2CCNCC2)OC

InChI

InChI=1S/C11H18N4O2/c1-16-10-7-11(17-2)14-9(13-10)8-15-5-3-12-4-6-15/h7,12H,3-6,8H2,1-2H3

InChIKey

RZNQZUBONDNTBD-UHFFFAOYSA-N

Compound name

4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 238.14297 Da
Monoisotopic Mass: 0.0
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]+	239.15025	156.5
[M+Na]+	261.13219	168.5
[M+NH4]+	256.17679	162.5
[M+K]+	277.10613	162.8
[M-H]-	237.13569	157.2
[M+Na-2H]-	259.11764	162.3
[M]+	238.14242	158.1
[M]-	238.14352	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe