CID 23426485

Malyngamide f

Structural Information

Molecular Formula
C24H38ClNO4
SMILES
CCCCCCCC(C/C=C/CCC(=O)NC/C(=C/Cl)/C1=CCC[C@H](C1=O)O)OC
InChI
InChI=1S/C24H38ClNO4/c1-3-4-5-6-8-12-20(30-2)13-9-7-10-16-23(28)26-18-19(17-25)21-14-11-15-22(27)24(21)29/h7,9,14,17,20,22,27H,3-6,8,10-13,15-16,18H2,1-2H3,(H,26,28)/b9-7+,19-17-/t20?,22-/m1/s1
InChIKey
KEMQTMQXSBOLLF-QJJIHHNVSA-N
Compound name
(E)-N-[(E)-3-chloro-2-[(5R)-5-hydroxy-6-oxocyclohexen-1-yl]prop-2-enyl]-7-methoxytetradec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.24893 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.25621 211.8
[M+Na]+ 462.23815 212.5
[M-H]- 438.24165 211.4
[M+NH4]+ 457.28275 221.1
[M+K]+ 478.21209 206.0
[M+H-H2O]+ 422.24619 204.9
[M+HCOO]- 484.24713 222.3
[M+CH3COO]- 498.26278 230.8
[M+Na-2H]- 460.22360 204.9
[M]+ 439.24838 215.5
[M]- 439.24948 215.5
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

No patent data available for this compound.