CID 3051237

Brn 0568650

Structural Information

Molecular Formula
C25H36N2O
SMILES
CCOC(CCN1C(CN(CC1(C)C)C2=CC=CC=C2)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C25H36N2O/c1-6-28-24(22-14-12-20(2)13-15-22)16-17-27-21(3)18-26(19-25(27,4)5)23-10-8-7-9-11-23/h7-15,21,24H,6,16-19H2,1-5H3
InChIKey
ISDAFFYIBWGXCM-UHFFFAOYSA-N
Compound name
1-[3-ethoxy-3-(4-methylphenyl)propyl]-2,2,6-trimethyl-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.28278 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29006 198.8
[M+Na]+ 403.27200 203.1
[M-H]- 379.27550 204.4
[M+NH4]+ 398.31660 209.6
[M+K]+ 419.24594 197.7
[M+H-H2O]+ 363.28004 187.4
[M+HCOO]- 425.28098 212.8
[M+CH3COO]- 439.29663 223.8
[M+Na-2H]- 401.25745 197.3
[M]+ 380.28223 198.2
[M]- 380.28333 198.2
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.