CID 213941

27338-61-0

Structural Information

Molecular Formula
C21H25F2N3O
SMILES
CC(CCN1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H25F2N3O/c1-16(24-21(27)17-2-4-18(22)5-3-17)10-11-25-12-14-26(15-13-25)20-8-6-19(23)7-9-20/h2-9,16H,10-15H2,1H3,(H,24,27)
InChIKey
VPDYAYBHAAJHIN-UHFFFAOYSA-N
Compound name
4-fluoro-N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.19656 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20384 190.9
[M+Na]+ 396.18578 194.3
[M-H]- 372.18928 193.8
[M+NH4]+ 391.23038 199.1
[M+K]+ 412.15972 188.2
[M+H-H2O]+ 356.19382 177.7
[M+HCOO]- 418.19476 204.4
[M+CH3COO]- 432.21041 221.1
[M+Na-2H]- 394.17123 189.5
[M]+ 373.19601 184.2
[M]- 373.19711 184.2
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.