CID 16889

Butropipazone

Structural Information

Molecular Formula
C20H23FN2O
SMILES
C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C20H23FN2O/c21-18-10-8-17(9-11-18)20(24)7-4-12-22-13-15-23(16-14-22)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2
InChIKey
QPHRVUMZLUQZGU-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

326.17944 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18672 179.6
[M+Na]+ 349.16866 183.5
[M-H]- 325.17216 183.6
[M+NH4]+ 344.21326 189.8
[M+K]+ 365.14260 177.5
[M+H-H2O]+ 309.17670 167.4
[M+HCOO]- 371.17764 194.4
[M+CH3COO]- 385.19329 209.2
[M+Na-2H]- 347.15411 180.6
[M]+ 326.17889 174.4
[M]- 326.17999 174.4
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