CID 3043274

Scs 33

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₃

SMILES

CCOC(=O)N(C1=CC=CC(=C1C)C)C(=O)N

InChI

InChI=1S/C12H16N2O3/c1-4-17-12(16)14(11(13)15)10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3,(H2,13,15)

InChIKey

IMULWFGAZXIYLS-UHFFFAOYSA-N

Compound name

ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.11609 Da
Monoisotopic Mass: 2.5
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]+	237.12337	153.7
[M+Na]+	259.10531	160.3
[M-H]-	235.10881	158.6
[M+NH4]+	254.14991	171.6
[M+K]+	275.07925	160.2
[M+H-H2O]+	219.11335	146.8
[M+HCOO]-	281.11429	178.3
[M+CH3COO]-	295.12994	199.6
[M+Na-2H]-	257.09076	155.2
[M]+	236.11554	155.6
[M]-	236.11664	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe