CID 10547620

Madangolide

Structural Information

Molecular Formula
C23H39NO3
SMILES
CC1CCC(C(=O)N(/C=C\C=C/CCC(C(=O)OC(C1)C(C)(C)C)C)C)C
InChI
InChI=1S/C23H39NO3/c1-17-13-14-18(2)21(25)24(7)15-11-9-8-10-12-19(3)22(26)27-20(16-17)23(4,5)6/h8-9,11,15,17-20H,10,12-14,16H2,1-7H3/b9-8-,15-11-
InChIKey
PZISRZRLNYYESW-SCLISBBUSA-N
Compound name
(10Z,12Z)-2-tert-butyl-4,7,9,16-tetramethyl-1-oxa-9-azacycloheptadeca-10,12-diene-8,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

377.293 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.300276 191.5
[M+Na]+ 400.282218 196.6
[M-H]- 376.285724 193.6
[M+NH4]+ 395.326823 199.1
[M+K]+ 416.256158 195.1
[M+H-H2O]+ 360.290260 188.6
[M+HCOO]- 422.291201 202.5
[M+CH3COO]- 436.306851 214.6
[M+Na-2H]- 398.267666 187.7
[M]+ 377.29245142 186.7
[M]- 377.29354858 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe