CID 75069246

Malyngamide p

Structural Information

Molecular Formula
C24H40ClNO5
SMILES
CCCCCCCC(CC=CCCC(=O)N(C)CC(=CCl)CC(=O)CC(=O)OC)OC
InChI
InChI=1S/C24H40ClNO5/c1-5-6-7-8-10-13-22(30-3)14-11-9-12-15-23(28)26(2)19-20(18-25)16-21(27)17-24(29)31-4/h9,11,18,22H,5-8,10,12-17,19H2,1-4H3
InChIKey
YLHIQMKJWXSOGP-UHFFFAOYSA-N
Compound name
methyl 6-chloro-5-[[7-methoxytetradec-4-enoyl(methyl)amino]methyl]-3-oxohex-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

457.2595 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.26678 220.3
[M+Na]+ 480.24872 233.5
[M-H]- 456.25222 221.2
[M+NH4]+ 475.29332 232.7
[M+K]+ 496.22266 230.0
[M+H-H2O]+ 440.25676 210.5
[M+HCOO]- 502.25770 223.9
[M+CH3COO]- 516.27335 239.3
[M+Na-2H]- 478.23417 213.7
[M]+ 457.25895 222.8
[M]- 457.26005 222.8
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

No patent data available for this compound.