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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.156076	165.4
[M+Na]+	304.138018	172.6
[M-H]-	280.141524	170.0
[M+NH4]+	299.182623	177.2
[M+K]+	320.111958	170.6
[M+H-H2O]+	264.146060	156.5
[M+HCOO]-	326.147001	180.1
[M+CH3COO]-	340.162651	175.3
[M+Na-2H]-	302.123466	168.6
[M]+	281.14825142	160.0
[M]-	281.14934858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.