CID 19881124

1431966-42-5

Structural Information

Molecular Formula

C₁₁H₁₂ClN₃O

SMILES

C1CN(CCN1)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C11H12ClN3O/c12-8-1-2-10-9(7-8)14-11(16-10)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2

InChIKey

JVWGQRQPGUJVMR-UHFFFAOYSA-N

Compound name

5-chloro-2-piperazin-1-yl-1,3-benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 237.0669 Da
Monoisotopic Mass: 2.6
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]+	238.074176	150.0
[M+Na]+	260.056118	159.5
[M-H]-	236.059624	152.5
[M+NH4]+	255.100723	165.1
[M+K]+	276.030058	154.6
[M+H-H2O]+	220.064160	141.4
[M+HCOO]-	282.065101	162.0
[M+CH3COO]-	296.080751	161.5
[M+Na-2H]-	258.041566	155.6
[M]+	237.06635142	149.1
[M]-	237.06744858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe