CID 156581237

Jamaicamide e

Structural Information

Molecular Formula
C27H38N2O4
SMILES
C[C@H]1C=CC(=O)N1C(=O)/C=C(\CCNC(=O)CC/C=C/C(C)CCC(=C)CCCC#C)/OC
InChI
InChI=1S/C27H38N2O4/c1-6-7-8-11-21(2)14-15-22(3)12-9-10-13-25(30)28-19-18-24(33-5)20-27(32)29-23(4)16-17-26(29)31/h1,9,12,16-17,20,22-23H,2,7-8,10-11,13-15,18-19H2,3-5H3,(H,28,30)/b12-9+,24-20+/t22?,23-/m0/s1
InChIKey
GTUHUBOUZMSNHS-VLTWHIACSA-N
Compound name
(E)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyl-9-methylidenetetradec-4-en-13-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.28317 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.29045 216.0
[M+Na]+ 477.27239 218.7
[M-H]- 453.27589 214.3
[M+NH4]+ 472.31699 223.2
[M+K]+ 493.24633 212.7
[M+H-H2O]+ 437.28043 201.3
[M+HCOO]- 499.28137 225.5
[M+CH3COO]- 513.29702 240.3
[M+Na-2H]- 475.25784 205.3
[M]+ 454.28262 213.4
[M]- 454.28372 213.4
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.