CID 3068569

2,4-diamino-6-(4-(2-pyridyl)-1-piperazinyl)pyrimidine 3-oxide dihydrochloride

Structural Information

Molecular Formula
C13H17N7O
SMILES
C1CN(CCN1C2=CC=CC=N2)C3=NC(=N)N(C(=C3)N)O
InChI
InChI=1S/C13H17N7O/c14-10-9-12(17-13(15)20(10)21)19-7-5-18(6-8-19)11-3-1-2-4-16-11/h1-4,9,15,21H,5-8,14H2
InChIKey
IBKVORPXFNZYDB-UHFFFAOYSA-N
Compound name
3-hydroxy-2-imino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.14944 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15672 170.3
[M+Na]+ 310.13866 177.6
[M-H]- 286.14216 171.8
[M+NH4]+ 305.18326 177.2
[M+K]+ 326.11260 170.7
[M+H-H2O]+ 270.14670 158.5
[M+HCOO]- 332.14764 185.4
[M+CH3COO]- 346.16329 178.4
[M+Na-2H]- 308.12411 175.2
[M]+ 287.14889 162.9
[M]- 287.14999 162.9
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

No patent data available for this compound.