CID 44540045

1199236-64-0

Structural Information

Molecular Formula
C19H27ClFN3O2
SMILES
CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)C2=CC(=CC(=C2)Cl)F
InChI
InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
InChIKey
JOCLITFYIMJMNK-UHFFFAOYSA-N
Compound name
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

41
Patents

383.17758 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18486 190.5
[M+Na]+ 406.16680 198.8
[M+NH4]+ 401.21140 195.5
[M+K]+ 422.14074 193.3
[M-H]- 382.17030 191.4
[M+Na-2H]- 404.15225 194.0
[M]+ 383.17703 191.8
[M]- 383.17813 191.8
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