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]+ 326.175076 182.2
[M+Na]+ 348.157018 186.4
[M-H]- 324.160524 188.1
[M+NH4]+ 343.201623 196.3
[M+K]+ 364.130958 182.9
[M+H-H2O]+ 308.165060 175.0
[M+HCOO]- 370.166001 198.7
[M+CH3COO]- 384.181651 204.0
[M+Na-2H]- 346.142466 180.9
[M]+ 325.16725142 181.9
[M]- 325.16834858 181.9
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.