CID 11092841

Bistratamide i

Structural Information

Molecular Formula
C25H36N6O6S
SMILES
C[C@H]([C@H]1C(=O)N[C@H](C2=NC(=CO2)C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C(=O)N1)C(C)C)C(C)C)C(C)C)O
InChI
InChI=1S/C25H36N6O6S/c1-10(2)16-22(35)31-19(13(7)32)23(36)29-17(11(3)4)24-26-14(8-37-24)20(33)30-18(12(5)6)25-27-15(9-38-25)21(34)28-16/h8-13,16-19,32H,1-7H3,(H,28,34)(H,29,36)(H,30,33)(H,31,35)/t13-,16+,17+,18+,19+/m1/s1
InChIKey
LDXCESZYUWPDOR-RUZYHRDJSA-N
Compound name
(4S,11S,14S,17S)-14-[(1R)-1-hydroxyethyl]-4,11,17-tri(propan-2-yl)-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

548.2417 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.24898 229.3
[M+Na]+ 571.23092 234.1
[M-H]- 547.23442 221.1
[M+NH4]+ 566.27552 227.0
[M+K]+ 587.20486 231.1
[M+H-H2O]+ 531.23896 229.9
[M+HCOO]- 593.23990 221.5
[M+CH3COO]- 607.25555 237.7
[M+Na-2H]- 569.21637 217.9
[M]+ 548.24115 227.6
[M]- 548.24225 227.6
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.