CID 16728437

(1s,3s)-3-[[4-[4-[3-[1-[(4-bromo-5-chloro-2-thienyl)sulfonyl]-4-piperidyl]propyl]-1-piperidyl]-3-chloro-phenyl]sulfonylamino]cyclopentanecarbohydroxamic acid

Structural Information

Molecular Formula
C29H39BrCl2N4O6S3
SMILES
C1C[C@@H](C[C@H]1C(=O)NO)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)CCCC4CCN(CC4)S(=O)(=O)C5=CC(=C(S5)Cl)Br)Cl
InChI
InChI=1S/C29H39BrCl2N4O6S3/c30-24-18-27(43-28(24)32)45(41,42)36-14-10-20(11-15-36)3-1-2-19-8-12-35(13-9-19)26-7-6-23(17-25(26)31)44(39,40)34-22-5-4-21(16-22)29(37)33-38/h6-7,17-22,34,38H,1-5,8-16H2,(H,33,37)/t21-,22-/m0/s1
InChIKey
XURCMZCHMJHIAU-VXKWHMMOSA-N
Compound name
(1S,3S)-3-[[4-[4-[3-[1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propyl]piperidin-1-yl]-3-chlorophenyl]sulfonylamino]-N-hydroxycyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

784.0592 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.06648 235.5
[M+Na]+ 807.04842 239.2
[M-H]- 783.05192 246.0
[M+NH4]+ 802.09302 237.9
[M+K]+ 823.02236 226.4
[M+H-H2O]+ 767.05646 238.5
[M+HCOO]- 829.05740 223.3
[M+CH3COO]- 843.07305 268.5
[M+Na-2H]- 805.03387 236.0
[M]+ 784.05865 252.2
[M]- 784.05975 252.2
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.