CID 55041

83540-23-2

Structural Information

Molecular Formula
C12H19N5O3
SMILES
C1COC2(CCN(CC2)C3=NC(=N)N(C(=C3)N)O)OC1
InChI
InChI=1S/C12H19N5O3/c13-9-8-10(15-11(14)17(9)18)16-4-2-12(3-5-16)19-6-1-7-20-12/h8,14,18H,1-7,13H2
InChIKey
HIAMNTIIERYBCJ-UHFFFAOYSA-N
Compound name
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-hydroxy-2-iminopyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1488 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.15608 165.3
[M+Na]+ 304.13802 175.5
[M+NH4]+ 299.18262 172.2
[M+K]+ 320.11196 170.0
[M-H]- 280.14152 170.8
[M+Na-2H]- 302.12347 170.5
[M]+ 281.14825 168.0
[M]- 281.14935 168.0
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.