CID 5372162

Pipercide

Structural Information

Molecular Formula
C22H29NO3
SMILES
CC(C)CNC(=O)/C=C/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8-15,18H,3-5,7,16-17H2,1-2H3,(H,23,24)/b8-6+,11-9+,12-10+
InChIKey
RPOYGOULCHMVBB-ADDDGJNWSA-N
Compound name
(2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,10-trienamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

173
Patents

355.21475 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 195.0
[M+Na]+ 378.20397 198.0
[M-H]- 354.20747 198.7
[M+NH4]+ 373.24857 207.5
[M+K]+ 394.17791 194.3
[M+H-H2O]+ 338.21201 187.6
[M+HCOO]- 400.21295 212.7
[M+CH3COO]- 414.22860 216.4
[M+Na-2H]- 376.18942 194.6
[M]+ 355.21420 198.2
[M]- 355.21530 198.2
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