CID 6439167

Glidobactin c

Structural Information

Molecular Formula
C29H48N4O6
SMILES
CCCCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)/C=C\[C@@H](NC1=O)C)O
InChI
InChI=1S/C29H48N4O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(37)33-27(22(3)34)29(39)32-24-20-23(35)18-19-30-25(36)17-16-21(2)31-28(24)38/h12-17,21-24,27,34-35H,4-11,18-20H2,1-3H3,(H,30,36)(H,31,38)(H,32,39)(H,33,37)/b13-12+,15-14+,17-16-/t21-,22+,23-,24-,27-/m0/s1
InChIKey
UHXDSKADPILIPT-OHIHYABUSA-N
Compound name
(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]tetradeca-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

548.35736 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.36464 236.0
[M+Na]+ 571.34658 232.2
[M-H]- 547.35008 227.1
[M+NH4]+ 566.39118 232.0
[M+K]+ 587.32052 227.2
[M+H-H2O]+ 531.35462 230.2
[M+HCOO]- 593.35556 240.4
[M+CH3COO]- 607.37121 244.9
[M+Na-2H]- 569.33203 224.2
[M]+ 548.35681 227.4
[M]- 548.35791 227.4
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

patents stripe