CID 483310

Chembl93860

Structural Information

Molecular Formula
C26H34N6O2S
SMILES
C1CCC(CC1)CN(CC2=CN=CN2)S(=O)(=O)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=CC=N5
InChI
InChI=1S/C26H34N6O2S/c33-35(34,32(20-23-18-27-21-29-23)19-22-6-2-1-3-7-22)25-11-9-24(10-12-25)30-14-16-31(17-15-30)26-8-4-5-13-28-26/h4-5,8-13,18,21-22H,1-3,6-7,14-17,19-20H2,(H,27,29)
InChIKey
YIBATKBRWMYALO-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

494.2464 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.25368 213.1
[M+Na]+ 517.23562 213.9
[M-H]- 493.23912 220.0
[M+NH4]+ 512.28022 213.4
[M+K]+ 533.20956 206.6
[M+H-H2O]+ 477.24366 199.8
[M+HCOO]- 539.24460 217.6
[M+CH3COO]- 553.26025 216.7
[M+Na-2H]- 515.22107 211.3
[M]+ 494.24585 206.0
[M]- 494.24695 206.0
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.