CID 15596445

(e,e)-futoamide

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC(C)CNC(=O)/C=C/CC/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C18H23NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,20)/b7-5+,8-6+
InChIKey
MRUXVACSRPRMSN-KQQUZDAGSA-N
Compound name
(2E,6E)-7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,6-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

301.1678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 177.2
[M+Na]+ 324.15702 181.6
[M-H]- 300.16052 181.7
[M+NH4]+ 319.20162 192.0
[M+K]+ 340.13096 179.5
[M+H-H2O]+ 284.16506 170.5
[M+HCOO]- 346.16600 196.2
[M+CH3COO]- 360.18165 205.8
[M+Na-2H]- 322.14247 179.0
[M]+ 301.16725 179.9
[M]- 301.16835 179.9
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.