CID 5281870

Isobutylphendienamide

Structural Information

Molecular Formula
C16H21NO
SMILES
CC(C)CNC(=O)/C=C/C=C/CC1=CC=CC=C1
InChI
InChI=1S/C16H21NO/c1-14(2)13-17-16(18)12-8-4-7-11-15-9-5-3-6-10-15/h3-10,12,14H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+
InChIKey
APSXSFZATMGGAT-HCFISPQYSA-N
Compound name
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

243.16231 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16959 161.8
[M+Na]+ 266.15153 172.1
[M+NH4]+ 261.19613 168.8
[M+K]+ 282.12547 164.5
[M-H]- 242.15503 163.5
[M+Na-2H]- 264.13698 166.8
[M]+ 243.16176 163.5
[M]- 243.16286 163.5
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