CID 20644640

848154-38-1

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

C1CN(CCN1)C2=CC=CC3=C2OC(=O)N3

InChI

InChI=1S/C11H13N3O2/c15-11-13-8-2-1-3-9(10(8)16-11)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H,13,15)

InChIKey

BJJMRBXZMKJLQK-UHFFFAOYSA-N

Compound name

7-piperazin-1-yl-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 219.10077 Da
Monoisotopic Mass: 0.6
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]+	220.10805	146.2
[M+Na]+	242.08999	154.8
[M-H]-	218.09349	147.9
[M+NH4]+	237.13459	160.5
[M+K]+	258.06393	150.5
[M+H-H2O]+	202.09803	137.8
[M+HCOO]-	264.09897	161.9
[M+CH3COO]-	278.11462	157.4
[M+Na-2H]-	240.07544	152.1
[M]+	219.10022	142.4
[M]-	219.10132	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe