CID 10098515

Bistratamide d

Structural Information

Molecular Formula
C25H34N6O5S
SMILES
C[C@@H]1[C@H]2C(=O)N[C@H](C3=NC(=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/C25H34N6O5S/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/h8-13,16-19H,1-7H3,(H,28,33)(H,29,34)(H,30,32)/t13-,16+,17+,18+,19+/m1/s1
InChIKey
FARIBTJPCDNMIZ-RUZYHRDJSA-N
Compound name
(4S,7R,8S,11S,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),14,19(22)-pentaene-2,9,16-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.23114 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.23842 224.8
[M+Na]+ 553.22036 232.2
[M-H]- 529.22386 220.4
[M+NH4]+ 548.26496 227.1
[M+K]+ 569.19430 231.2
[M+H-H2O]+ 513.22840 226.8
[M+HCOO]- 575.22934 220.5
[M+CH3COO]- 589.24499 228.3
[M+Na-2H]- 551.20581 214.1
[M]+ 530.23059 228.4
[M]- 530.23169 228.4
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.