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

4
Patents

357.2304 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.237676 196.0
[M+Na]+ 380.219618 198.6
[M-H]- 356.223124 199.7
[M+NH4]+ 375.264223 208.5
[M+K]+ 396.193558 195.6
[M+H-H2O]+ 340.227660 188.5
[M+HCOO]- 402.228601 213.6
[M+CH3COO]- 416.244251 217.8
[M+Na-2H]- 378.205066 195.6
[M]+ 357.22985142 200.0
[M]- 357.23094858 200.0
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