CID 162697

Desethylaprindine

Structural Information

Molecular Formula
C20H26N2
SMILES
CCNCCCN(C1CC2=CC=CC=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-2-21-13-8-14-22(19-11-4-3-5-12-19)20-15-17-9-6-7-10-18(17)16-20/h3-7,9-12,20-21H,2,8,13-16H2,1H3
InChIKey
JVKNBCGVGGFZLV-UHFFFAOYSA-N
Compound name
N'-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-N'-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

294.2096 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 174.2
[M+Na]+ 317.19882 186.0
[M+NH4]+ 312.24342 184.0
[M+K]+ 333.17276 178.2
[M-H]- 293.20232 181.0
[M+Na-2H]- 315.18427 182.3
[M]+ 294.20905 177.8
[M]- 294.21015 177.8
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