CID 472354

(8s)-7,10-diaza-7-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-8-benzylspiro[4.5]decan-6-one

Structural Information

Molecular Formula
C31H43N3O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CNC4(C3=O)CCCC4)CC5=CC=CC=C5)O
InChI
InChI=1S/C31H43N3O5S/c1-39-28-13-15-29(16-14-28)40(37,38)33(21-25-11-5-6-12-25)22-27(35)23-34-26(19-24-9-3-2-4-10-24)20-32-31(30(34)36)17-7-8-18-31/h2-4,9-10,13-16,25-27,32,35H,5-8,11-12,17-23H2,1H3/t26-,27?/m0/s1
InChIKey
LBBIRXSOQGCOKO-QBHOUYDASA-N
Compound name
N-[3-[(8S)-8-benzyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.29236 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.29964 233.1
[M+Na]+ 592.28158 231.4
[M-H]- 568.28508 241.5
[M+NH4]+ 587.32618 238.0
[M+K]+ 608.25552 227.2
[M+H-H2O]+ 552.28962 224.1
[M+HCOO]- 614.29056 237.6
[M+CH3COO]- 628.30621 247.6
[M+Na-2H]- 590.26703 227.0
[M]+ 569.29181 229.1
[M]- 569.29291 229.1
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.