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

20
Patents

238.14297 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.150246 157.1
[M+Na]+ 261.132188 163.3
[M-H]- 237.135694 156.2
[M+NH4]+ 256.176793 168.3
[M+K]+ 277.106128 160.0
[M+H-H2O]+ 221.140230 146.8
[M+HCOO]- 283.141171 171.6
[M+CH3COO]- 297.156821 189.0
[M+Na-2H]- 259.117636 161.7
[M]+ 238.14242142 154.6
[M]- 238.14351858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe