CID 6442405

Guineensine

Structural Information

Molecular Formula
C24H33NO3
SMILES
CC(C)CNC(=O)/C=C/C=C/CCCCCC/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C24H33NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+
InChIKey
FPMPOFBEYSSYDQ-AUVZEZIHSA-N
Compound name
(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

125
Patents

383.24603 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.253306 204.2
[M+Na]+ 406.235248 206.3
[M-H]- 382.238754 207.6
[M+NH4]+ 401.279853 215.6
[M+K]+ 422.209188 202.2
[M+H-H2O]+ 366.243290 196.4
[M+HCOO]- 428.244231 221.3
[M+CH3COO]- 442.259881 222.4
[M+Na-2H]- 404.220696 202.8
[M]+ 383.24548142 208.1
[M]- 383.24657858 208.1
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

patents stripe