CID 139591602

Malyngamide y

Structural Information

Molecular Formula
C23H36ClNO3
SMILES
CCCCCC(C/C=C/CCC(=O)NC/C(=C/Cl)/C1=CCCC(C1=O)C)OC
InChI
InChI=1S/C23H36ClNO3/c1-4-5-7-12-20(28-3)13-8-6-9-15-22(26)25-17-19(16-24)21-14-10-11-18(2)23(21)27/h6,8,14,16,18,20H,4-5,7,9-13,15,17H2,1-3H3,(H,25,26)/b8-6+,19-16-
InChIKey
WWQDIDINXDFXLA-XZQNXHFTSA-N
Compound name
(E)-N-[(E)-3-chloro-2-(5-methyl-6-oxocyclohexen-1-yl)prop-2-enyl]-7-methoxydodec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.23837 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.24565 205.2
[M+Na]+ 432.22759 206.9
[M-H]- 408.23109 206.3
[M+NH4]+ 427.27219 216.5
[M+K]+ 448.20153 200.7
[M+H-H2O]+ 392.23563 198.2
[M+HCOO]- 454.23657 217.2
[M+CH3COO]- 468.25222 228.2
[M+Na-2H]- 430.21304 199.0
[M]+ 409.23782 208.9
[M]- 409.23892 208.9
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.