CID 45789017

4-methoxy-6-(piperazin-1-yl)pyrimidine

Structural Information

Molecular Formula
C9H14N4O
SMILES
COC1=NC=NC(=C1)N2CCNCC2
InChI
InChI=1S/C9H14N4O/c1-14-9-6-8(11-7-12-9)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3
InChIKey
FOINJVBLEDQGKC-UHFFFAOYSA-N
Compound name
4-methoxy-6-piperazin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

194.11676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 145.2
[M+Na]+ 217.10598 151.4
[M-H]- 193.10948 144.2
[M+NH4]+ 212.15058 157.9
[M+K]+ 233.07992 148.0
[M+H-H2O]+ 177.11402 135.1
[M+HCOO]- 239.11496 160.1
[M+CH3COO]- 253.13061 155.2
[M+Na-2H]- 215.09143 151.5
[M]+ 194.11621 140.1
[M]- 194.11731 140.1
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