CID 3068564

83540-32-3

Structural Information

Molecular Formula

C₉H₁₆N₆O

SMILES

CN1CCN(CC1)C2=NC(=N)N(C(=C2)N)O

InChI

InChI=1S/C9H16N6O/c1-13-2-4-14(5-3-13)8-6-7(10)15(16)9(11)12-8/h6,11,16H,2-5,10H2,1H3

InChIKey

AJVXORIUPJGFTR-UHFFFAOYSA-N

Compound name

3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.13857 Da
Monoisotopic Mass: 0.2
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]+	225.14585	154.4
[M+Na]+	247.12779	162.2
[M-H]-	223.13129	154.4
[M+NH4]+	242.17239	166.0
[M+K]+	263.10173	157.6
[M+H-H2O]+	207.13583	144.9
[M+HCOO]-	269.13677	171.0
[M+CH3COO]-	283.15242	192.4
[M+Na-2H]-	245.11324	158.5
[M]+	224.13802	147.7
[M]-	224.13912	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe