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

20
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

literature stripe

Patent stripe

patents stripe