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

219
Patents

203.10587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 142.5
[M+Na]+ 226.09509 150.4
[M-H]- 202.09859 145.1
[M+NH4]+ 221.13969 158.0
[M+K]+ 242.06903 147.1
[M+H-H2O]+ 186.10313 133.6
[M+HCOO]- 248.10407 159.4
[M+CH3COO]- 262.11972 154.2
[M+Na-2H]- 224.08054 149.6
[M]+ 203.10532 139.3
[M]- 203.10642 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