CID 6481586

1-piperidineethanesulfonamide, 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-1h-benzimidazol-2-yl]amino]-

Structural Information

Molecular Formula
C23H32N6O3S
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NC4CCN(CC4)CCS(=O)(=O)N)C)C
InChI
InChI=1S/C23H32N6O3S/c1-15-12-16(2)22-20(13-15)29(14-19-21(30)5-4-17(3)25-19)23(27-22)26-18-6-8-28(9-7-18)10-11-33(24,31)32/h4-5,12-13,18,30H,6-11,14H2,1-3H3,(H,26,27)(H2,24,31,32)
InChIKey
KCHXIXGPKIYRIH-UHFFFAOYSA-N
Compound name
2-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.22565 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.23293 215.6
[M+Na]+ 495.21487 223.1
[M-H]- 471.21837 219.9
[M+NH4]+ 490.25947 220.5
[M+K]+ 511.18881 215.4
[M+H-H2O]+ 455.22291 205.9
[M+HCOO]- 517.22385 224.8
[M+CH3COO]- 531.23950 238.9
[M+Na-2H]- 493.20032 214.4
[M]+ 472.22510 217.3
[M]- 472.22620 217.3
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.