CID 5277579

Cycloamide 30

Structural Information

Molecular Formula
C28H40N2O7S
SMILES
CC(C)CN(C[C@H]([C@@H]1CCCCCCCOC2=C(C=CC=C2O)C(=O)N1)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C28H40N2O7S/c1-20(2)18-30(38(34,35)22-15-13-21(36-3)14-16-22)19-26(32)24-11-7-5-4-6-8-17-37-27-23(28(33)29-24)10-9-12-25(27)31/h9-10,12-16,20,24,26,31-32H,4-8,11,17-19H2,1-3H3,(H,29,33)/t24-,26+/m0/s1
InChIKey
FTEGNCQZPKADDA-AZGAKELHSA-N
Compound name
N-[(2R)-2-hydroxy-2-[(10S)-17-hydroxy-12-oxo-2-oxa-11-azabicyclo[11.4.0]heptadeca-1(13),14,16-trien-10-yl]ethyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

548.2556 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.26288 223.7
[M+Na]+ 571.24482 222.6
[M-H]- 547.24832 223.8
[M+NH4]+ 566.28942 221.7
[M+K]+ 587.21876 221.6
[M+H-H2O]+ 531.25286 218.8
[M+HCOO]- 593.25380 225.3
[M+CH3COO]- 607.26945 241.3
[M+Na-2H]- 569.23027 220.7
[M]+ 548.25505 220.3
[M]- 548.25615 220.3
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.