CID 20762

Amifenosine

Structural Information

Molecular Formula

C₁₀H₁₀N₄O

SMILES

C1=CC(=CC=C1C2=C(NC(=O)N=C2)N)N

InChI

InChI=1S/C10H10N4O/c11-7-3-1-6(2-4-7)8-5-13-10(15)14-9(8)12/h1-5H,11H2,(H3,12,13,14,15)

InChIKey

ORPMTKOOLDZBDA-UHFFFAOYSA-N

Compound name

6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 202.08546 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]+	203.09274	143.1
[M+Na]+	225.07468	152.6
[M-H]-	201.07818	146.0
[M+NH4]+	220.11928	158.1
[M+K]+	241.04862	147.3
[M+H-H2O]+	185.08272	135.0
[M+HCOO]-	247.08366	165.9
[M+CH3COO]-	261.09931	155.3
[M+Na-2H]-	223.06013	149.6
[M]+	202.08491	138.6
[M]-	202.08601	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe