CID 11060498

Bistratamide f

Structural Information

Molecular Formula
C25H36N6O5S
SMILES
C[C@@H]1[C@H]2C(=O)N[C@H](C3=N[C@@H](CO3)C(=O)N[C@H](C4=NC(=CS4)C(=O)N[C@H](C(=N2)O1)C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C25H36N6O5S/c1-10(2)16-23-26-14(8-35-23)20(32)30-18(12(5)6)25-27-15(9-37-25)21(33)28-17(11(3)4)24-31-19(13(7)36-24)22(34)29-16/h9-14,16-19H,8H2,1-7H3,(H,28,33)(H,29,34)(H,30,32)/t13-,14+,16+,17+,18+,19+/m1/s1
InChIKey
PVKWKGXPRJQDIZ-XZHCTYTHSA-N
Compound name
(4S,7R,8S,11S,15S,18S)-7-methyl-4,11,18-tri(propan-2-yl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),19(22)-tetraene-2,9,16-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

532.24677 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.25405 226.1
[M+Na]+ 555.23599 231.6
[M-H]- 531.23949 220.6
[M+NH4]+ 550.28059 228.0
[M+K]+ 571.20993 230.9
[M+H-H2O]+ 515.24403 228.1
[M+HCOO]- 577.24497 218.9
[M+CH3COO]- 591.26062 228.5
[M+Na-2H]- 553.22144 213.8
[M]+ 532.24622 227.1
[M]- 532.24732 227.1
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.