CID 6439108

Antibiotic s 632-b1

Structural Information

Molecular Formula
C17H25NO5
SMILES
CC1C(O1)/C(=C\C(C)C(=O)CC(CC2CC(=O)NC(=O)C2)O)/C
InChI
InChI=1S/C17H25NO5/c1-9(4-10(2)17-11(3)23-17)14(20)8-13(19)5-12-6-15(21)18-16(22)7-12/h4,9,11-13,17,19H,5-8H2,1-3H3,(H,18,21,22)/b10-4-
InChIKey
JEIOGENOOQCFDS-WMZJFQQLSA-N
Compound name
4-[(Z)-2-hydroxy-5-methyl-7-(3-methyloxiran-2-yl)-4-oxooct-6-enyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.17328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.180556 175.4
[M+Na]+ 346.162498 180.4
[M-H]- 322.166004 178.5
[M+NH4]+ 341.207103 180.9
[M+K]+ 362.136438 176.8
[M+H-H2O]+ 306.170540 168.4
[M+HCOO]- 368.171481 186.2
[M+CH3COO]- 382.187131 209.0
[M+Na-2H]- 344.147946 170.9
[M]+ 323.17273142 176.1
[M]- 323.17382858 176.1
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.