CID 431865

Mt-45

Structural Information

Molecular Formula
C24H32N2
SMILES
C1CCC(CC1)N2CCN(CC2)C(CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H32N2/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2
InChIKey
IGBRRSIHEGCUEN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-(1,2-diphenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

237
Patents

348.25656 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.26384 192.0
[M+Na]+ 371.24578 205.8
[M+NH4]+ 366.29038 201.1
[M+K]+ 387.21972 195.4
[M-H]- 347.24928 200.3
[M+Na-2H]- 369.23123 202.2
[M]+ 348.25601 196.4
[M]- 348.25711 196.4
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