CID 2727270

Maybridge1_006164

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃S

SMILES

CC1(C(=O)N(C(=O)NO1)CCC2=CC=CS2)C

InChI

InChI=1S/C11H14N2O3S/c1-11(2)9(14)13(10(15)12-16-11)6-5-8-4-3-7-17-8/h3-4,7H,5-6H2,1-2H3,(H,12,15)

InChIKey

XKQISXTZCKTUGW-UHFFFAOYSA-N

Compound name

6,6-dimethyl-4-(2-thiophen-2-ylethyl)-1,2,4-oxadiazinane-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 254.07251 Da
Monoisotopic Mass: 1.4
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]+	255.079786	154.0
[M+Na]+	277.061728	162.8
[M-H]-	253.065234	157.7
[M+NH4]+	272.106333	170.9
[M+K]+	293.035668	160.3
[M+H-H2O]+	237.069770	148.0
[M+HCOO]-	299.070711	167.0
[M+CH3COO]-	313.086361	188.1
[M+Na-2H]-	275.047176	154.9
[M]+	254.07196142	155.2
[M]-	254.07305858	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.