CID 13953724

109402-17-7

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

C1CCC2(C3=CC=CC=C3C1)C(=O)NC(=O)N2

InChI

InChI=1S/C13H14N2O2/c16-11-13(15-12(17)14-11)8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7H,3-4,6,8H2,(H2,14,15,16,17)

InChIKey

BCSYSQVTCKMBMK-UHFFFAOYSA-N

Compound name

spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 230.10553 Da
Monoisotopic Mass: 1.8
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]+	231.112806	151.9
[M+Na]+	253.094748	158.3
[M-H]-	229.098254	154.4
[M+NH4]+	248.139353	169.6
[M+K]+	269.068688	155.8
[M+H-H2O]+	213.102790	144.6
[M+HCOO]-	275.103731	166.2
[M+CH3COO]-	289.119381	162.1
[M+Na-2H]-	251.080196	155.5
[M]+	230.10498142	142.4
[M]-	230.10607858	142.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.