CID 131752410

(2e,4e,8e)-piperamide-c9:3

Structural Information

Molecular Formula
C20H23NO3
SMILES
C1CCN(C1)C(=O)/C=C/C=C/CC/C=C\C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C20H23NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h2,4-6,9-12,15H,1,3,7-8,13-14,16H2/b4-2+,9-5-,10-6+
InChIKey
XWQSYLYFCJTIEL-JWXNOOABSA-N
Compound name
(2E,4E,8Z)-9-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylnona-2,4,8-trien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 181.1
[M+Na]+ 348.15702 190.3
[M+NH4]+ 343.20162 187.3
[M+K]+ 364.13096 187.1
[M-H]- 324.16052 184.8
[M+Na-2H]- 346.14247 182.3
[M]+ 325.16725 183.1
[M]- 325.16835 183.1
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.