CID 13670205

Hydrazinecarboxamide, 1-(3-amino-3-oxopropyl)-2,2-dimethyl-n-phenyl-

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₂

SMILES

CN(C)N(CCC(=O)N)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H18N4O2/c1-15(2)16(9-8-11(13)17)12(18)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,17)(H,14,18)

InChIKey

OBVODKHGSUXVME-UHFFFAOYSA-N

Compound name

3-[dimethylamino(phenylcarbamoyl)amino]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 250.14297 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]+	251.150246	159.2
[M+Na]+	273.132188	162.1
[M-H]-	249.135694	164.5
[M+NH4]+	268.176793	175.5
[M+K]+	289.106128	163.0
[M+H-H2O]+	233.140230	150.6
[M+HCOO]-	295.141171	185.9
[M+CH3COO]-	309.156821	209.5
[M+Na-2H]-	271.117636	161.9
[M]+	250.14242142	158.6
[M]-	250.14351858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe