CID 3072697

1-diphenylmethyl-4-(2-hydroxy-3-phenylmethylaminopropyl)-piperazine

Structural Information

Molecular Formula
C27H33N3O
SMILES
C1CN(CCN1CC(CNCC2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H33N3O/c31-26(21-28-20-23-10-4-1-5-11-23)22-29-16-18-30(19-17-29)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28,31H,16-22H2
InChIKey
RXACHOWXVJKTIH-UHFFFAOYSA-N
Compound name
1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

415.26236 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26964 207.5
[M+Na]+ 438.25158 220.7
[M+NH4]+ 433.29618 214.6
[M+K]+ 454.22552 211.1
[M-H]- 414.25508 215.3
[M+Na-2H]- 436.23703 217.9
[M]+ 415.26181 211.6
[M]- 415.26291 211.6
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

patents stripe