CID 87252

17696-94-5

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: 12
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]+	224.10297	150.1
[M+Na]+	246.08491	157.9
[M+NH4]+	241.12951	156.0
[M+K]+	262.05885	153.8
[M-H]-	222.08841	151.6
[M+Na-2H]-	244.07036	155.1
[M]+	223.09514	151.0
[M]-	223.09624	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe