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 202.1
[M+Na]+ 438.25158 200.9
[M-H]- 414.25508 207.7
[M+NH4]+ 433.29618 206.3
[M+K]+ 454.22552 193.7
[M+H-H2O]+ 398.25962 188.7
[M+HCOO]- 460.26056 214.9
[M+CH3COO]- 474.27621 206.8
[M+Na-2H]- 436.23703 202.6
[M]+ 415.26181 194.6
[M]- 415.26291 194.6
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