CID 43376272

3-amino-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₃

SMILES

CN1CC(=O)N(C1=O)CC2=C(C=C(C=C2)C(=O)N)N

InChI

InChI=1S/C12H14N4O3/c1-15-6-10(17)16(12(15)19)5-8-3-2-7(11(14)18)4-9(8)13/h2-4H,5-6,13H2,1H3,(H2,14,18)

InChIKey

WKTRMDQSILHKDP-UHFFFAOYSA-N

Compound name

3-amino-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.1066 Da
Monoisotopic Mass: -1.0
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]+	263.113876	158.5
[M+Na]+	285.095818	167.0
[M-H]-	261.099324	162.7
[M+NH4]+	280.140423	173.5
[M+K]+	301.069758	163.6
[M+H-H2O]+	245.103860	150.5
[M+HCOO]-	307.104801	179.8
[M+CH3COO]-	321.120451	201.8
[M+Na-2H]-	283.081266	157.5
[M]+	262.10605142	156.0
[M]-	262.10714858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.