CID 55042

Dtxsid601003542

Structural Information

Molecular Formula

C₁₁H₁₇N₅O₃

SMILES

C1CN(CCC12OCCO2)C3=NC(=N)N(C(=C3)N)O

InChI

InChI=1S/C11H17N5O3/c12-8-7-9(14-10(13)16(8)17)15-3-1-11(2-4-15)18-5-6-19-11/h7,13,17H,1-6,12H2

InChIKey

NUZFCTZMZUXYDM-UHFFFAOYSA-N

Compound name

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-hydroxy-2-iminopyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.13315 Da
Monoisotopic Mass: 0.3
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]+	268.140426	159.8
[M+Na]+	290.122368	166.6
[M-H]-	266.125874	164.2
[M+NH4]+	285.166973	171.8
[M+K]+	306.096308	164.8
[M+H-H2O]+	250.130410	150.8
[M+HCOO]-	312.131351	174.9
[M+CH3COO]-	326.147001	169.9
[M+Na-2H]-	288.107816	164.3
[M]+	267.13260142	153.7
[M]-	267.13369858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.