CID 17855548

4-ethoxy-2-(piperazin-1-yl)pyrimidine

Structural Information

Molecular Formula
C10H16N4O
SMILES
CCOC1=NC(=NC=C1)N2CCNCC2
InChI
InChI=1S/C10H16N4O/c1-2-15-9-3-4-12-10(13-9)14-7-5-11-6-8-14/h3-4,11H,2,5-8H2,1H3
InChIKey
KOSSOXUTKRWSAI-UHFFFAOYSA-N
Compound name
4-ethoxy-2-piperazin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.13242 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 149.5
[M+Na]+ 231.12164 155.2
[M-H]- 207.12514 148.3
[M+NH4]+ 226.16624 161.6
[M+K]+ 247.09558 151.6
[M+H-H2O]+ 191.12968 139.2
[M+HCOO]- 253.13062 164.0
[M+CH3COO]- 267.14627 159.1
[M+Na-2H]- 229.10709 155.3
[M]+ 208.13187 144.7
[M]- 208.13297 144.7
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