CID 146682347

Muscoride b

Structural Information

Molecular Formula
C31H41N5O6
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C2=NC(=CO2)C3=NC(=C(O3)C)C4=NC(=CO4)C(=O)OCC=C(C)C)NCC=C(C)C
InChI
InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
InChIKey
RYLVRVUEEVJKJO-OPXMRZJTSA-N
Compound name
3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.30566 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.31294 242.3
[M+Na]+ 602.29488 243.6
[M-H]- 578.29838 254.0
[M+NH4]+ 597.33948 243.0
[M+K]+ 618.26882 244.7
[M+H-H2O]+ 562.30292 235.6
[M+HCOO]- 624.30386 254.3
[M+CH3COO]- 638.31951 258.1
[M+Na-2H]- 600.28033 227.6
[M]+ 579.30511 250.7
[M]- 579.30621 250.7
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.