CID 5279678

4-[2-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-4,6-dimethyl-benzimidazol-2-yl]amino]ethyl]benzenesulfonamide

Structural Information

Molecular Formula
C24H27N5O3S
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NCCC4=CC=C(C=C4)S(=O)(=O)N)C)C
InChI
InChI=1S/C24H27N5O3S/c1-15-12-16(2)23-21(13-15)29(14-20-22(30)9-4-17(3)27-20)24(28-23)26-11-10-18-5-7-19(8-6-18)33(25,31)32/h4-9,12-13,30H,10-11,14H2,1-3H3,(H,26,28)(H2,25,31,32)
InChIKey
UZIVASFQXZOYPK-UHFFFAOYSA-N
Compound name
4-[2-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.18347 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.19075 214.6
[M+Na]+ 488.17269 224.6
[M-H]- 464.17619 221.4
[M+NH4]+ 483.21729 221.4
[M+K]+ 504.14663 216.5
[M+H-H2O]+ 448.18073 205.1
[M+HCOO]- 510.18167 228.9
[M+CH3COO]- 524.19732 237.8
[M+Na-2H]- 486.15814 215.5
[M]+ 465.18292 220.2
[M]- 465.18402 220.2
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.