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

228
Patents

230.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 150.1
[M+Na]+ 253.094748 157.3
[M-H]- 229.098254 153.7
[M+NH4]+ 248.139353 163.9
[M+K]+ 269.068688 153.6
[M+H-H2O]+ 213.102790 141.1
[M+HCOO]- 275.103731 165.7
[M+CH3COO]- 289.119381 161.1
[M+Na-2H]- 251.080196 157.5
[M]+ 230.10498142 145.9
[M]- 230.10607858 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.