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 167.0
[M+Na]+ 304.13802 172.5
[M-H]- 280.14152 170.7
[M+NH4]+ 299.18262 176.4
[M+K]+ 320.11196 170.6
[M+H-H2O]+ 264.14606 156.6
[M+HCOO]- 326.14700 179.4
[M+CH3COO]- 340.16265 175.6
[M+Na-2H]- 302.12347 172.5
[M]+ 281.14825 158.9
[M]- 281.14935 158.9
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.