CID 3052263

Urea, n'-(aminoiminomethyl)-n-(2,6-diethylphenyl)-n-propyl-, monohydrochloride

Structural Information

Molecular Formula

C₁₅H₂₄N₄O

SMILES

CCCN(C1=C(C=CC=C1CC)CC)C(=O)N=C(N)N

InChI

InChI=1S/C15H24N4O/c1-4-10-19(15(20)18-14(16)17)13-11(5-2)8-7-9-12(13)6-3/h7-9H,4-6,10H2,1-3H3,(H4,16,17,18,20)

InChIKey

RUOXRYFBGJRYMJ-UHFFFAOYSA-N

Compound name

3-(diaminomethylidene)-1-(2,6-diethylphenyl)-1-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 276.195 Da
Monoisotopic Mass: 3.2
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]+	277.202276	170.4
[M+Na]+	299.184218	174.5
[M-H]-	275.187724	175.5
[M+NH4]+	294.228823	186.4
[M+K]+	315.158158	173.2
[M+H-H2O]+	259.192260	162.0
[M+HCOO]-	321.193201	196.3
[M+CH3COO]-	335.208851	216.7
[M+Na-2H]-	297.169666	170.1
[M]+	276.19445142	169.8
[M]-	276.19554858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe