CID 121328278

Bms-986205

Structural Information

Molecular Formula
C24H24ClFN2O
SMILES
C[C@H](C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1
InChIKey
KRTIYQIPSAGSBP-KLAILNCOSA-N
Compound name
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

2762
Patents

410.15613 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.16341 198.5
[M+Na]+ 433.14535 203.5
[M-H]- 409.14885 204.8
[M+NH4]+ 428.18995 208.5
[M+K]+ 449.11929 195.5
[M+H-H2O]+ 393.15339 187.1
[M+HCOO]- 455.15433 208.4
[M+CH3COO]- 469.16998 205.8
[M+Na-2H]- 431.13080 197.8
[M]+ 410.15558 195.0
[M]- 410.15668 195.0
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