CID 483308

Chembl93257

Structural Information

Molecular Formula
C28H29F2N5O2S
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N(CCC4=CC=CC=C4F)CC5=CN=CN5
InChI
InChI=1S/C28H29F2N5O2S/c29-23-5-7-25(8-6-23)33-15-17-34(18-16-33)26-9-11-27(12-10-26)38(36,37)35(20-24-19-31-21-32-24)14-13-22-3-1-2-4-28(22)30/h1-12,19,21H,13-18,20H2,(H,31,32)
InChIKey
UHWXVDUDQLSRTC-UHFFFAOYSA-N
Compound name
N-[2-(2-fluorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

537.201 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.20828 224.4
[M+Na]+ 560.19022 229.0
[M-H]- 536.19372 231.5
[M+NH4]+ 555.23482 224.9
[M+K]+ 576.16416 219.8
[M+H-H2O]+ 520.19826 209.7
[M+HCOO]- 582.19920 231.4
[M+CH3COO]- 596.21485 228.7
[M+Na-2H]- 558.17567 221.7
[M]+ 537.20045 220.5
[M]- 537.20155 220.5
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.