CID 3072698

1-diphenylmethyl-4-(2-hydroxy-3-(2-phenylethylamino)propyl)-piperazine

Structural Information

Molecular Formula
C28H35N3O
SMILES
C1CN(CCN1CC(CNCCC2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H35N3O/c32-27(22-29-17-16-24-10-4-1-5-11-24)23-30-18-20-31(21-19-30)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-29,32H,16-23H2
InChIKey
QSEFVVBQKKFJHN-UHFFFAOYSA-N
Compound name
1-(4-benzhydrylpiperazin-1-yl)-3-(2-phenylethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

429.278 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.28528 206.2
[M+Na]+ 452.26722 204.6
[M-H]- 428.27072 211.6
[M+NH4]+ 447.31182 209.9
[M+K]+ 468.24116 197.2
[M+H-H2O]+ 412.27526 192.6
[M+HCOO]- 474.27620 218.7
[M+CH3COO]- 488.29185 210.5
[M+Na-2H]- 450.25267 206.2
[M]+ 429.27745 199.0
[M]- 429.27855 199.0
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