CID 3678

Alverine

Structural Information

Molecular Formula
C20H27N
SMILES
CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2
InChI
InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
InChIKey
ZPFXAOWNKLFJDN-UHFFFAOYSA-N
Compound name
N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

54
References

2038
Patents

281.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.22164 171.5
[M+Na]+ 304.20358 174.8
[M-H]- 280.20708 178.0
[M+NH4]+ 299.24818 187.2
[M+K]+ 320.17752 170.6
[M+H-H2O]+ 264.21162 162.4
[M+HCOO]- 326.21256 195.3
[M+CH3COO]- 340.22821 208.4
[M+Na-2H]- 302.18903 175.8
[M]+ 281.21381 173.1
[M]- 281.21491 173.1
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