CID 131753140

Sarcodon scabrosus depsipeptide

Structural Information

Molecular Formula
C23H39N3O8
SMILES
CCC(C)C1C(=O)OC(C(=O)NC(C(=O)NC(C(=O)OC(C(=O)N1)C(C)C)C(C)O)C)C(C)C
InChI
InChI=1S/C23H39N3O8/c1-9-12(6)15-22(31)33-17(10(2)3)20(29)24-13(7)19(28)26-16(14(8)27)23(32)34-18(11(4)5)21(30)25-15/h10-18,27H,9H2,1-8H3,(H,24,29)(H,25,30)(H,26,28)
InChIKey
ZZZCVVSDKFDQJU-UHFFFAOYSA-N
Compound name
3-butan-2-yl-9-(1-hydroxyethyl)-12-methyl-6,15-di(propan-2-yl)-1,7-dioxa-4,10,13-triazacyclopentadecane-2,5,8,11,14-pentone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

485.2737 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.28098 217.4
[M+Na]+ 508.26292 220.6
[M-H]- 484.26642 212.2
[M+NH4]+ 503.30752 213.5
[M+K]+ 524.23686 219.6
[M+H-H2O]+ 468.27096 214.4
[M+HCOO]- 530.27190 216.0
[M+CH3COO]- 544.28755 233.5
[M+Na-2H]- 506.24837 204.4
[M]+ 485.27315 211.5
[M]- 485.27425 211.5
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.