CID 33783

27338-62-1

Structural Information

Molecular Formula
C21H25ClFN3O
SMILES
CC(CCN1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H25ClFN3O/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
DWHRYXOFXGGWJE-UHFFFAOYSA-N
Compound name
4-chloro-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

389.16702 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17430 193.4
[M+Na]+ 412.15624 197.4
[M-H]- 388.15974 197.4
[M+NH4]+ 407.20084 201.8
[M+K]+ 428.13018 190.3
[M+H-H2O]+ 372.16428 181.5
[M+HCOO]- 434.16522 203.3
[M+CH3COO]- 448.18087 222.0
[M+Na-2H]- 410.14169 192.1
[M]+ 389.16647 190.1
[M]- 389.16757 190.1
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.