CID 72027

Levemopamil

Structural Information

Molecular Formula
C23H30N2
SMILES
CC(C)[C@](CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3/t23-/m0/s1
InChIKey
DWAWDSVKAUWFHC-QHCPKHFHSA-N
Compound name
(2S)-5-[methyl(2-phenylethyl)amino]-2-phenyl-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

84
References

1691
Patents

334.2409 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.248176 191.3
[M+Na]+ 357.230118 196.2
[M-H]- 333.233624 196.1
[M+NH4]+ 352.274723 203.1
[M+K]+ 373.204058 190.3
[M+H-H2O]+ 317.238160 175.8
[M+HCOO]- 379.239101 207.8
[M+CH3COO]- 393.254751 227.8
[M+Na-2H]- 355.215566 192.5
[M]+ 334.24035142 187.2
[M]- 334.24144858 187.2
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