CID 21589267

Jamaicamide c

Structural Information

Molecular Formula
C27H39ClN2O4
SMILES
CC1C=CC(=O)N1C(=O)/C=C(\CCNC(=O)CC/C=C/C(C)CC/C(=C/Cl)/CCCC=C)/OC
InChI
InChI=1S/C27H39ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h5,8,10,14,16,19-22H,1,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)/b10-8+,23-20+,24-19+
InChIKey
PRVBXXHHHXSICY-GDKFLGFMSA-N
Compound name
(4E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-(2-methyl-5-oxo-2H-pyrrol-1-yl)-5-oxopent-3-enyl]-6-methyltetradeca-4,13-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

490.25983 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.26711 227.0
[M+Na]+ 513.24905 228.2
[M-H]- 489.25255 227.0
[M+NH4]+ 508.29365 235.3
[M+K]+ 529.22299 220.9
[M+H-H2O]+ 473.25709 219.4
[M+HCOO]- 535.25803 237.5
[M+CH3COO]- 549.27368 241.8
[M+Na-2H]- 511.23450 216.0
[M]+ 490.25928 232.7
[M]- 490.26038 232.7
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.