CID 10433314

Nra-0160

Structural Information

Molecular Formula
C24H23F2N3OS
SMILES
C1CN(CCC1=CC2=CC(=CC=C2)F)CCC3=C(N=C(S3)C(=O)N)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H23F2N3OS/c25-19-6-4-18(5-7-19)22-21(31-24(28-22)23(27)30)10-13-29-11-8-16(9-12-29)14-17-2-1-3-20(26)15-17/h1-7,14-15H,8-13H2,(H2,27,30)
InChIKey
QESXTNJNPLVEOR-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

439.15298 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16026 204.6
[M+Na]+ 462.14220 215.5
[M+NH4]+ 457.18680 210.2
[M+K]+ 478.11614 207.3
[M-H]- 438.14570 208.6
[M+Na-2H]- 460.12765 211.0
[M]+ 439.15243 207.4
[M]- 439.15353 207.4
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