CID 87252

Hydrazinecarboxylic acid, 2-[(phenylamino)carbonyl]-, ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

CCOC(=O)NNC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C10H13N3O3/c1-2-16-10(15)13-12-9(14)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,15)(H2,11,12,14)

InChIKey

ZNRQNLRWXBDXBE-UHFFFAOYSA-N

Compound name

ethyl N-(phenylcarbamoylamino)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 223.09569 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]+	224.102966	148.4
[M+Na]+	246.084908	152.9
[M-H]-	222.088414	151.8
[M+NH4]+	241.129513	165.4
[M+K]+	262.058848	152.2
[M+H-H2O]+	206.092950	140.9
[M+HCOO]-	268.093891	174.8
[M+CH3COO]-	282.109541	192.2
[M+Na-2H]-	244.070356	154.4
[M]+	223.09514142	147.5
[M]-	223.09623858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe