CID 5279711

Chembl242670

Structural Information

Molecular Formula
C24H34N6O3S
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCCS(=O)(=O)NC)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C24H34N6O3S/c1-17-6-4-7-21-23(17)28-24(30(21)16-20-22(31)9-8-18(2)26-20)27-19-10-13-29(14-11-19)12-5-15-34(32,33)25-3/h4,6-9,19,25,31H,5,10-16H2,1-3H3,(H,27,28)
InChIKey
OZYATASYNVALTG-UHFFFAOYSA-N
Compound name
3-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]-N-methylpropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

486.2413 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.24858 217.5
[M+Na]+ 509.23052 223.8
[M-H]- 485.23402 221.8
[M+NH4]+ 504.27512 221.9
[M+K]+ 525.20446 216.2
[M+H-H2O]+ 469.23856 207.3
[M+HCOO]- 531.23950 227.1
[M+CH3COO]- 545.25515 240.7
[M+Na-2H]- 507.21597 217.7
[M]+ 486.24075 220.0
[M]- 486.24185 220.0
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.