CID 10256384

Bistratamide g

Structural Information

Molecular Formula
C25H32N6O5S
SMILES
CC1=C2C(=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/C25H32N6O5S/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/h8-12,16-18H,1-7H3,(H,28,33)(H,29,34)(H,30,32)/t16-,17-,18-/m0/s1
InChIKey
YDONFAWPMVOOTI-BZSNNMDCSA-N
Compound name
(4S,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),7,12(23),14,19(22)-hexaene-2,9,16-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

528.2155 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.22278 224.1
[M+Na]+ 551.20472 232.4
[M-H]- 527.20822 220.3
[M+NH4]+ 546.24932 226.5
[M+K]+ 567.17866 231.3
[M+H-H2O]+ 511.21276 226.0
[M+HCOO]- 573.21370 221.1
[M+CH3COO]- 587.22935 228.2
[M+Na-2H]- 549.19017 214.2
[M]+ 528.21495 229.0
[M]- 528.21605 229.0
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.