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

17
Patents

208.13242 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 149.5
[M+Na]+ 231.121638 155.2
[M-H]- 207.125144 148.3
[M+NH4]+ 226.166243 161.6
[M+K]+ 247.095578 151.6
[M+H-H2O]+ 191.129680 139.2
[M+HCOO]- 253.130621 164.0
[M+CH3COO]- 267.146271 159.1
[M+Na-2H]- 229.107086 155.3
[M]+ 208.13187142 144.7
[M]- 208.13296858 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