CID 3058028

74406-04-5

Structural Information

Molecular Formula
C21H26N4O5S
SMILES
CS(=O)(=O)NC1=C(C=CC(=C1)C(CN2CCC(CC2)N3C4=CC=CC=C4NC3=O)O)O
InChI
InChI=1S/C21H26N4O5S/c1-31(29,30)23-17-12-14(6-7-19(17)26)20(27)13-24-10-8-15(9-11-24)25-18-5-3-2-4-16(18)22-21(25)28/h2-7,12,15,20,23,26-27H,8-11,13H2,1H3,(H,22,28)
InChIKey
CSWUMOIDNZVRIU-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.16238 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.16966 200.8
[M+Na]+ 469.15160 210.8
[M+NH4]+ 464.19620 204.4
[M+K]+ 485.12554 207.1
[M-H]- 445.15510 202.2
[M+Na-2H]- 467.13705 205.1
[M]+ 446.16183 202.6
[M]- 446.16293 202.6
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.