CID 208118

31652-50-3

Structural Information

Molecular Formula

C₁₁H₁₈N₄O₃

SMILES

CCCCNC(=O)NC1=CC(=O)N(C(=O)N1C)C

InChI

InChI=1S/C11H18N4O3/c1-4-5-6-12-10(17)13-8-7-9(16)15(3)11(18)14(8)2/h7H,4-6H2,1-3H3,(H2,12,13,17)

InChIKey

SWIHMYMURMXGDI-UHFFFAOYSA-N

Compound name

1-butyl-3-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.1379 Da
Monoisotopic Mass: -0.1
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]+	255.145176	156.9
[M+Na]+	277.127118	166.0
[M-H]-	253.130624	158.8
[M+NH4]+	272.171723	171.6
[M+K]+	293.101058	163.5
[M+H-H2O]+	237.135160	148.9
[M+HCOO]-	299.136101	180.4
[M+CH3COO]-	313.151751	201.0
[M+Na-2H]-	275.112566	160.7
[M]+	254.13735142	160.0
[M]-	254.13844858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe