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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 146.2
[M+Na]+ 242.089988 154.8
[M-H]- 218.093494 147.9
[M+NH4]+ 237.134593 160.5
[M+K]+ 258.063928 150.5
[M+H-H2O]+ 202.098030 137.8
[M+HCOO]- 264.098971 161.9
[M+CH3COO]- 278.114621 157.4
[M+Na-2H]- 240.075436 152.1
[M]+ 219.10022142 142.4
[M]- 219.10131858 142.4
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