CID 10347376

Bistratamide h

Structural Information

Molecular Formula
C25H32N6O4S2
SMILES
CC1=C2C(=O)N[C@H](C3=NC(=CS3)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/C25H32N6O4S2/c1-10(2)16-23-31-19(13(7)35-23)22(34)30-18(12(5)6)25-27-15(9-37-25)21(33)29-17(11(3)4)24-26-14(8-36-24)20(32)28-16/h8-12,16-18H,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t16-,17-,18-/m0/s1
InChIKey
YGMRMAIELLDBHQ-BZSNNMDCSA-N
Compound name
(4S,11S,18S)-7-methyl-4,11,18-tri(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

2
References

0
Patents

544.1926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.19988 222.0
[M+Na]+ 567.18182 230.8
[M-H]- 543.18532 217.3
[M+NH4]+ 562.22642 226.1
[M+K]+ 583.15576 228.7
[M+H-H2O]+ 527.18986 225.9
[M+HCOO]- 589.19080 215.9
[M+CH3COO]- 603.20645 225.9
[M+Na-2H]- 565.16727 213.1
[M]+ 544.19205 227.3
[M]- 544.19315 227.3
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.