CID 6433752

N,n-dimethyl-4-(o-phenethylphenyl)-3-butenylamine fumarate

Structural Information

Molecular Formula
C20H25N
SMILES
CN(C)CC/C=C/C1=CC=CC=C1CCC2=CC=CC=C2
InChI
InChI=1S/C20H25N/c1-21(2)17-9-8-14-19-12-6-7-13-20(19)16-15-18-10-4-3-5-11-18/h3-8,10-14H,9,15-17H2,1-2H3/b14-8+
InChIKey
VOWFFOPHKVLLEP-RIYZIHGNSA-N
Compound name
(E)-N,N-dimethyl-4-[2-(2-phenylethyl)phenyl]but-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1987 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 170.4
[M+Na]+ 302.18792 175.0
[M-H]- 278.19142 177.3
[M+NH4]+ 297.23252 186.5
[M+K]+ 318.16186 170.3
[M+H-H2O]+ 262.19596 161.6
[M+HCOO]- 324.19690 194.4
[M+CH3COO]- 338.21255 208.0
[M+Na-2H]- 300.17337 174.0
[M]+ 279.19815 171.6
[M]- 279.19925 171.6
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.