CID 135438121

Cyclazodone

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

C1CC1N=C2NC(=O)C(O2)C3=CC=CC=C3

InChI

InChI=1S/C12H12N2O2/c15-11-10(8-4-2-1-3-5-8)16-12(14-11)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14,15)

InChIKey

DNRKTAYPGADPGW-UHFFFAOYSA-N

Compound name

2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 76
Patents: 216.08987 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]+	217.097146	146.2
[M+Na]+	239.079088	155.2
[M-H]-	215.082594	155.9
[M+NH4]+	234.123693	158.7
[M+K]+	255.053028	151.9
[M+H-H2O]+	199.087130	138.6
[M+HCOO]-	261.088071	169.0
[M+CH3COO]-	275.103721	158.9
[M+Na-2H]-	237.064536	151.0
[M]+	216.08932142	146.3
[M]-	216.09041858	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe