CID 19881124

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

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

12
Patents

237.0669 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07418 149.4
[M+Na]+ 260.05612 164.4
[M+NH4]+ 255.10072 158.1
[M+K]+ 276.03006 158.9
[M-H]- 236.05962 153.3
[M+Na-2H]- 258.04157 156.2
[M]+ 237.06635 152.9
[M]- 237.06745 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe