CID 5356194

(e)-herclavine

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN(CCC1=CC=C(C=C1)OC)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H21NO2/c1-20(15-14-17-8-11-18(22-2)12-9-17)19(21)13-10-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-10+
InChIKey
VANLAWLPWTVXIB-JLHYYAGUSA-N
Compound name
(E)-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 172.0
[M+Na]+ 318.14645 176.9
[M-H]- 294.14995 179.3
[M+NH4]+ 313.19105 187.2
[M+K]+ 334.12039 173.6
[M+H-H2O]+ 278.15449 163.1
[M+HCOO]- 340.15543 196.0
[M+CH3COO]- 354.17108 208.4
[M+Na-2H]- 316.13190 174.9
[M]+ 295.15668 174.3
[M]- 295.15778 174.3
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

No patent data available for this compound.