CID 49977

67792-89-6

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₄

SMILES

CCOC(=O)C(CC1=CC=CC=C1)N(C(=O)N)N=O

InChI

InChI=1S/C12H15N3O4/c1-2-19-11(16)10(15(14-18)12(13)17)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,13,17)

InChIKey

GZEIUZIEIRUPGE-UHFFFAOYSA-N

Compound name

ethyl 2-[carbamoyl(nitroso)amino]-3-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.10626 Da
Monoisotopic Mass: 1.7
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]+	266.113536	159.4
[M+Na]+	288.095478	163.3
[M-H]-	264.098984	164.8
[M+NH4]+	283.140083	175.2
[M+K]+	304.069418	164.6
[M+H-H2O]+	248.103520	151.0
[M+HCOO]-	310.104461	185.8
[M+CH3COO]-	324.120111	207.7
[M+Na-2H]-	286.080926	161.9
[M]+	265.10571142	161.7
[M]-	265.10680858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.