CID 10391365

Bistratamide c

Structural Information

Molecular Formula
C22H26N6O4S2
SMILES
C[C@H]1C2=NC(=CS2)C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C(C)C
InChI
InChI=1S/C22H26N6O4S2/c1-9(2)15-20-24-12(6-32-20)17(29)23-11(5)21-25-13(7-33-21)19(31)28-16(10(3)4)22-26-14(8-34-22)18(30)27-15/h6-11,15-16H,1-5H3,(H,23,29)(H,27,30)(H,28,31)/t11-,15-,16-/m0/s1
InChIKey
MGQOLXUQYDFTKZ-UVBJJODRSA-N
Compound name
(4S,11S,18S)-11-methyl-4,18-di(propan-2-yl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.1457 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.15298 209.7
[M+Na]+ 525.13492 219.8
[M-H]- 501.13842 205.1
[M+NH4]+ 520.17952 215.4
[M+K]+ 541.10886 217.6
[M+H-H2O]+ 485.14296 213.2
[M+HCOO]- 547.14390 205.7
[M+CH3COO]- 561.15955 214.8
[M+Na-2H]- 523.12037 203.0
[M]+ 502.14515 214.3
[M]- 502.14625 214.3
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.