CID 4219798

2-pyrimidinamine, 1,6-dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-

Structural Information

Molecular Formula
C9H15N5O4S
SMILES
C1CCN(CC1)C2=NC(=N)N(C(=C2)N)OS(=O)(=O)O
InChI
InChI=1S/C9H15N5O4S/c10-7-6-8(13-4-2-1-3-5-13)12-9(11)14(7)18-19(15,16)17/h6,11H,1-5,10H2,(H,15,16,17)
InChIKey
DHVJQUFZGZOFFY-UHFFFAOYSA-N
Compound name
(6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

0
Patents

289.08447 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09175 161.7
[M+Na]+ 312.07369 168.7
[M-H]- 288.07719 162.7
[M+NH4]+ 307.11829 171.9
[M+K]+ 328.04763 164.3
[M+H-H2O]+ 272.08173 153.4
[M+HCOO]- 334.08267 173.9
[M+CH3COO]- 348.09832 197.8
[M+Na-2H]- 310.05914 165.5
[M]+ 289.08392 158.4
[M]- 289.08502 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.