CID 55043

83540-26-5

Structural Information

Molecular Formula
C12H19N5O3
SMILES
CC1COC2(O1)CCN(CC2)C3=NC(=N)N(C(=C3)N)O
InChI
InChI=1S/C12H19N5O3/c1-8-7-19-12(20-8)2-4-16(5-3-12)10-6-9(13)17(18)11(14)15-10/h6,8,14,18H,2-5,7,13H2,1H3
InChIKey
RDAGQFSZPJHSQZ-UHFFFAOYSA-N
Compound name
3-hydroxy-2-imino-6-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1488 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.15608 164.0
[M+Na]+ 304.13802 173.6
[M+NH4]+ 299.18262 170.7
[M+K]+ 320.11196 170.5
[M-H]- 280.14152 168.9
[M+Na-2H]- 302.12347 168.2
[M]+ 281.14825 166.4
[M]- 281.14935 166.4
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.