CID 210744

21602-31-3

Structural Information

Molecular Formula
C21H34N2
SMILES
CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)N3CCN(CC3)C
InChI
InChI=1S/C21H34N2/c1-20(2,3)18-10-12-21(13-11-18,19-8-6-5-7-9-19)23-16-14-22(4)15-17-23/h5-9,18H,10-17H2,1-4H3
InChIKey
OGEBPPBDFZFXHZ-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-1-phenylcyclohexyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2722 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.27948 182.9
[M+Na]+ 337.26142 185.0
[M-H]- 313.26492 187.7
[M+NH4]+ 332.30602 196.0
[M+K]+ 353.23536 180.5
[M+H-H2O]+ 297.26946 172.5
[M+HCOO]- 359.27040 193.3
[M+CH3COO]- 373.28605 207.8
[M+Na-2H]- 335.24687 183.7
[M]+ 314.27165 174.5
[M]- 314.27275 174.5
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.