CID 6478433

Pikromycin, antibiotic b 62169a, amaromycin, albomycetin

Structural Information

Molecular Formula
C22H36O7
SMILES
CCC1C(/C=C/C(=O)C(C(C(CC(C(=O)O1)C)C)OC2C(CCCO2)O)C)(C)O
InChI
InChI=1S/C22H36O7/c1-6-18-22(5,26)10-9-16(23)15(4)19(13(2)12-14(3)20(25)28-18)29-21-17(24)8-7-11-27-21/h9-10,13-15,17-19,21,24,26H,6-8,11-12H2,1-5H3/b10-9+
InChIKey
BYAAFFJLAHEJMM-MDZDMXLPSA-N
Compound name
(9E)-12-ethyl-11-hydroxy-6-(3-hydroxyoxan-2-yl)oxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.2461 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25338 196.6
[M+Na]+ 435.23532 201.4
[M-H]- 411.23882 199.6
[M+NH4]+ 430.27992 203.2
[M+K]+ 451.20926 202.0
[M+H-H2O]+ 395.24336 194.3
[M+HCOO]- 457.24430 205.2
[M+CH3COO]- 471.25995 219.2
[M+Na-2H]- 433.22077 192.3
[M]+ 412.24555 193.4
[M]- 412.24665 193.4
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

No patent data available for this compound.