CID 643725

Salicylihalamide a

Structural Information

Molecular Formula
C26H33NO5
SMILES
CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@H]([C@H](C/C=C/CC2=C(C(=CC=C2)O)C(=O)O1)C)O
InChI
InChI=1S/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6-,17-10+/t19-,21-,23+/m0/s1
InChIKey
VFCUJHFLFHQCRD-PFIOQAQVSA-N
Compound name
(2Z,4Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-dihydroxy-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]hepta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

143
Patents

439.23587 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.24315 206.4
[M+Na]+ 462.22509 214.6
[M+NH4]+ 457.26969 208.7
[M+K]+ 478.19903 208.3
[M-H]- 438.22859 207.8
[M+Na-2H]- 460.21054 206.1
[M]+ 439.23532 207.1
[M]- 439.23642 207.1
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

patents stripe