CID 486796

N-[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]spiro[4.5]decane-9-carboxamide

Structural Information

Molecular Formula
C32H46N2O5S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2CCCC3(C2)CCCC3)O)S(=O)(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C32H46N2O5S/c1-24(2)22-34(40(37,38)28-15-13-27(39-3)14-16-28)23-30(35)29(20-25-10-5-4-6-11-25)33-31(36)26-12-9-19-32(21-26)17-7-8-18-32/h4-6,10-11,13-16,24,26,29-30,35H,7-9,12,17-23H2,1-3H3,(H,33,36)/t26?,29-,30+/m0/s1
InChIKey
MILJCCTVGKJMHO-UZOINWKUSA-N
Compound name
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]spiro[4.5]decane-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

570.31274 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.32002 235.7
[M+Na]+ 593.30196 231.0
[M-H]- 569.30546 243.3
[M+NH4]+ 588.34656 241.3
[M+K]+ 609.27590 229.0
[M+H-H2O]+ 553.31000 227.0
[M+HCOO]- 615.31094 242.1
[M+CH3COO]- 629.32659 255.1
[M+Na-2H]- 591.28741 230.8
[M]+ 570.31219 233.6
[M]- 570.31329 233.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.