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]+ 378.30028 191.5
[M+Na]+ 400.28222 196.6
[M-H]- 376.28572 193.6
[M+NH4]+ 395.32682 199.1
[M+K]+ 416.25616 195.1
[M+H-H2O]+ 360.29026 188.6
[M+HCOO]- 422.29120 202.5
[M+CH3COO]- 436.30685 214.6
[M+Na-2H]- 398.26767 187.7
[M]+ 377.29245 186.7
[M]- 377.29355 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