CID 3044300

Scs 96

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₃

SMILES

CCOC(=O)N(C1=CC(=CC=C1)Cl)C(=O)N

InChI

InChI=1S/C10H11ClN2O3/c1-2-16-10(15)13(9(12)14)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3,(H2,12,14)

InChIKey

NEGMEIHYNPTRGY-UHFFFAOYSA-N

Compound name

ethyl N-carbamoyl-N-(3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.04582 Da
Monoisotopic Mass: 2.4
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]+	243.05310	151.0
[M+Na]+	265.03504	158.3
[M-H]-	241.03854	155.8
[M+NH4]+	260.07964	169.2
[M+K]+	281.00898	156.5
[M+H-H2O]+	225.04308	145.2
[M+HCOO]-	287.04402	171.9
[M+CH3COO]-	301.05967	196.1
[M+Na-2H]-	263.02049	153.8
[M]+	242.04527	154.0
[M]-	242.04637	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe