CID 5277577

Cycloamide 22

Structural Information

Molecular Formula
C28H38N2O7S
SMILES
CC(C)CN(C[C@H]([C@@H]1CCCC/C=C\COC2=C(C=CC=C2O)C(=O)N1)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C28H38N2O7S/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/h6,8-10,12-16,20,24,26,31-32H,4-5,7,11,17-19H2,1-3H3,(H,29,33)/b8-6-/t24-,26+/m0/s1
InChIKey
VLCHKLWDNXNIPB-BJGOYNQQSA-N
Compound name
N-[(2R)-2-hydroxy-2-[(4Z,10S)-17-hydroxy-12-oxo-2-oxa-11-azabicyclo[11.4.0]heptadeca-1(13),4,14,16-tetraen-10-yl]ethyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

546.24 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.24728 223.4
[M+Na]+ 569.22922 223.3
[M-H]- 545.23272 224.1
[M+NH4]+ 564.27382 221.6
[M+K]+ 585.20316 222.2
[M+H-H2O]+ 529.23726 218.4
[M+HCOO]- 591.23820 226.5
[M+CH3COO]- 605.25385 240.8
[M+Na-2H]- 567.21467 221.2
[M]+ 546.23945 221.4
[M]- 546.24055 221.4
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.