CID 155802451

Deprenylmuscoride b

Structural Information

Molecular Formula
C26H33N5O6
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)O)NCC=C(C)C
InChI
InChI=1S/C26H33N5O6/c1-6-15(4)20(27-10-9-14(2)3)25(32)31-11-7-8-19(31)23-28-17(12-35-23)22-30-21(16(5)37-22)24-29-18(13-36-24)26(33)34/h9,12-13,15,19-20,27H,6-8,10-11H2,1-5H3,(H,33,34)/t15-,19-,20-/m0/s1
InChIKey
ZIUWXSVNWOCDAE-YSSFQJQWSA-N
Compound name
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-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.24307 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.25035 221.7
[M+Na]+ 534.23229 224.6
[M-H]- 510.23579 232.7
[M+NH4]+ 529.27689 224.4
[M+K]+ 550.20623 225.9
[M+H-H2O]+ 494.24033 215.3
[M+HCOO]- 556.24127 234.6
[M+CH3COO]- 570.25692 243.7
[M+Na-2H]- 532.21774 209.8
[M]+ 511.24252 228.3
[M]- 511.24362 228.3
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.