CID 131751424

Retrofractamide d

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC(C)CNC(=O)/C=C/C=C/CCC/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C21H27NO3/c1-17(2)15-22-21(23)11-9-7-5-3-4-6-8-10-18-12-13-19-20(14-18)25-16-24-19/h5,7-14,17H,3-4,6,15-16H2,1-2H3,(H,22,23)/b7-5+,10-8+,11-9+
InChIKey
QVKVGYVXAAXMSX-HJHGIKLDSA-N
Compound name
(2E,4E,9E)-10-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)deca-2,4,9-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 190.3
[M+Na]+ 364.18832 193.7
[M-H]- 340.19182 194.3
[M+NH4]+ 359.23292 203.4
[M+K]+ 380.16226 190.3
[M+H-H2O]+ 324.19636 183.1
[M+HCOO]- 386.19730 208.4
[M+CH3COO]- 400.21295 213.4
[M+Na-2H]- 362.17377 190.5
[M]+ 341.19855 193.2
[M]- 341.19965 193.2
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

No patent data available for this compound.