CID 10893678

Dihydroretrofractamide b

Structural Information

Molecular Formula
C22H31NO3
SMILES
CC(C)CNC(=O)/C=C/C=C/CCCCCCC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C22H31NO3/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/h6,8,10,12-15,18H,3-5,7,9,11,16-17H2,1-2H3,(H,23,24)/b8-6+,12-10+
InChIKey
DMIKQRDDTCGOLE-VTKKNFPDSA-N
Compound name
(2E,4E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

357.2304 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 193.2
[M+Na]+ 380.21962 201.4
[M+NH4]+ 375.26422 198.6
[M+K]+ 396.19356 196.2
[M-H]- 356.22312 196.3
[M+Na-2H]- 378.20507 193.2
[M]+ 357.22985 194.9
[M]- 357.23095 194.9
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

patents stripe