CID 184839

Batoprazine

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1CN(CCN1)C2=CC=CC3=C2OC(=O)C=C3
InChI
InChI=1S/C13H14N2O2/c16-12-5-4-10-2-1-3-11(13(10)17-12)15-8-6-14-7-9-15/h1-5,14H,6-9H2
InChIKey
MTYYDFXUUJQQRS-UHFFFAOYSA-N
Compound name
8-piperazin-1-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

230.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 150.1
[M+Na]+ 253.09475 157.3
[M-H]- 229.09825 153.7
[M+NH4]+ 248.13935 163.9
[M+K]+ 269.06869 153.6
[M+H-H2O]+ 213.10279 141.1
[M+HCOO]- 275.10373 165.7
[M+CH3COO]- 289.11938 161.1
[M+Na-2H]- 251.08020 157.5
[M]+ 230.10498 145.9
[M]- 230.10608 145.9
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

No patent data available for this compound.