CID 85096685

Methyl 6-chloro-3-methoxy-5-[[7-methoxytetradec-4-enoyl(methyl)amino]methyl]hexa-2,5-dienoate

Structural Information

Molecular Formula
C25H42ClNO5
SMILES
CCCCCCCC(CC=CCCC(=O)N(C)CC(=CCl)CC(=CC(=O)OC)OC)OC
InChI
InChI=1S/C25H42ClNO5/c1-6-7-8-9-11-14-22(30-3)15-12-10-13-16-24(28)27(2)20-21(19-26)17-23(31-4)18-25(29)32-5/h10,12,18-19,22H,6-9,11,13-17,20H2,1-5H3
InChIKey
APYMXRPHYRRJTM-UHFFFAOYSA-N
Compound name
methyl 6-chloro-3-methoxy-5-[[7-methoxytetradec-4-enoyl(methyl)amino]methyl]hexa-2,5-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.27515 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.28243 224.4
[M+Na]+ 494.26437 237.4
[M-H]- 470.26787 225.1
[M+NH4]+ 489.30897 236.8
[M+K]+ 510.23831 234.3
[M+H-H2O]+ 454.27241 215.2
[M+HCOO]- 516.27335 227.6
[M+CH3COO]- 530.28900 241.5
[M+Na-2H]- 492.24982 217.3
[M]+ 471.27460 226.7
[M]- 471.27570 226.7
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

No patent data available for this compound.