CID 5098605

5,6-diamino-1,3-dipropyl-2,4(1h,3h)-pyrimidinedione

Structural Information

Molecular Formula

C₁₀H₁₈N₄O₂

SMILES

CCCN1C(=C(C(=O)N(C1=O)CCC)N)N

InChI

InChI=1S/C10H18N4O2/c1-3-5-13-8(12)7(11)9(15)14(6-4-2)10(13)16/h3-6,11-12H2,1-2H3

InChIKey

SVMBOONGPUFHRA-UHFFFAOYSA-N

Compound name

5,6-diamino-1,3-dipropylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 313
Patents: 226.14297 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]+	227.150246	151.6
[M+Na]+	249.132188	162.0
[M-H]-	225.135694	152.8
[M+NH4]+	244.176793	167.2
[M+K]+	265.106128	158.5
[M+H-H2O]+	209.140230	144.1
[M+HCOO]-	271.141171	174.7
[M+CH3COO]-	285.156821	197.2
[M+Na-2H]-	247.117636	154.1
[M]+	226.14242142	152.8
[M]-	226.14351858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe