CID 647818

2-(piperazin-1-yl)-1,3-benzoxazole

Structural Information

Molecular Formula
C11H13N3O
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKey
HLKHIJZYKGDCJM-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

215
Patents

203.10587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 142.5
[M+Na]+ 226.095088 150.4
[M-H]- 202.098594 145.1
[M+NH4]+ 221.139693 158.0
[M+K]+ 242.069028 147.1
[M+H-H2O]+ 186.103130 133.6
[M+HCOO]- 248.104071 159.4
[M+CH3COO]- 262.119721 154.2
[M+Na-2H]- 224.080536 149.6
[M]+ 203.10532142 139.3
[M]- 203.10641858 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe