CID 91480

Nirvanol

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CCC1(C(=O)NC(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)

InChIKey

UDTWZFJEMMUFLC-UHFFFAOYSA-N

Compound name

5-ethyl-5-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 42
References: 582
Patents: 204.08987 Da
Monoisotopic Mass: 1.5
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]+	205.09715	144.4
[M+Na]+	227.07909	152.7
[M-H]-	203.08259	146.1
[M+NH4]+	222.12369	163.1
[M+K]+	243.05303	148.2
[M+H-H2O]+	187.08713	137.7
[M+HCOO]-	249.08807	163.0
[M+CH3COO]-	263.10372	178.1
[M+Na-2H]-	225.06454	148.3
[M]+	204.08932	140.3
[M]-	204.09042	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe