CID 47510

Lidamidine

Structural Information

Molecular Formula

C₁₁H₁₆N₄O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)N

InChI

InChI=1S/C11H16N4O/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3/h4-6H,1-3H3,(H4,12,13,14,15,16)

InChIKey

RRHJHSBDJDZUGL-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 54
References: 1163
Patents: 220.13242 Da
Monoisotopic Mass: 1.6
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]+	221.13970	151.6
[M+Na]+	243.12164	157.3
[M-H]-	219.12514	156.5
[M+NH4]+	238.16624	169.5
[M+K]+	259.09558	155.9
[M+H-H2O]+	203.12968	144.1
[M+HCOO]-	265.13062	179.0
[M+CH3COO]-	279.14627	201.2
[M+Na-2H]-	241.10709	155.2
[M]+	220.13187	149.2
[M]-	220.13297	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe