CID 13670197

Propanoic acid, 3-(2,2-dimethyl-1-((phenylamino)carbonyl)hydrazino)-, methyl ester

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₃

SMILES

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

InChI

InChI=1S/C13H19N3O3/c1-15(2)16(10-9-12(17)19-3)13(18)14-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,18)

InChIKey

ORAUAVYDRUZKEE-UHFFFAOYSA-N

Compound name

methyl 3-[dimethylamino(phenylcarbamoyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 265.14264 Da
Monoisotopic Mass: 1.2
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]+	266.149916	162.8
[M+Na]+	288.131858	166.2
[M-H]-	264.135364	168.6
[M+NH4]+	283.176463	179.3
[M+K]+	304.105798	167.6
[M+H-H2O]+	248.139900	154.4
[M+HCOO]-	310.140841	189.2
[M+CH3COO]-	324.156491	209.4
[M+Na-2H]-	286.117306	165.8
[M]+	265.14209142	165.7
[M]-	265.14318858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe