CID 5374352

Piperovatine

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(C)CNC(=O)/C=C/C=C/CC1=CC=C(C=C1)OC
InChI
InChI=1S/C17H23NO2/c1-14(2)13-18-17(19)8-6-4-5-7-15-9-11-16(20-3)12-10-15/h4-6,8-12,14H,7,13H2,1-3H3,(H,18,19)/b5-4+,8-6+
InChIKey
IHRWUVSXOBLEJV-DVBIZMGNSA-N
Compound name
(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

273.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 168.4
[M+Na]+ 296.16210 173.0
[M-H]- 272.16560 171.1
[M+NH4]+ 291.20670 184.4
[M+K]+ 312.13604 169.3
[M+H-H2O]+ 256.17014 161.2
[M+HCOO]- 318.17108 190.4
[M+CH3COO]- 332.18673 202.6
[M+Na-2H]- 294.14755 169.4
[M]+ 273.17233 170.1
[M]- 273.17343 170.1
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.