CID 25104045

Cx1739

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₃

SMILES

CN(C1CCOCC1)C(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C13H15N3O3/c1-16(10-4-6-18-7-5-10)13(17)9-2-3-11-12(8-9)15-19-14-11/h2-3,8,10H,4-7H2,1H3

InChIKey

IRYRMRDDVXULFG-UHFFFAOYSA-N

Compound name

N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 261.11133 Da
Monoisotopic Mass: 1.0
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]+	262.118606	156.9
[M+Na]+	284.100548	163.5
[M-H]-	260.104054	164.2
[M+NH4]+	279.145153	170.8
[M+K]+	300.074488	164.1
[M+H-H2O]+	244.108590	148.0
[M+HCOO]-	306.109531	176.1
[M+CH3COO]-	320.125181	168.9
[M+Na-2H]-	282.085996	162.8
[M]+	261.11078142	158.3
[M]-	261.11187858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe