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

literature stripe

Patent stripe

patents stripe