CID 3072696

143759-58-4

Structural Information

Molecular Formula
C26H31N3O
SMILES
C1CN(CCN1CC(CNC2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H31N3O/c30-25(20-27-24-14-8-3-9-15-24)21-28-16-18-29(19-17-28)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25-27,30H,16-21H2
InChIKey
JPMXKXYHYAKGCD-UHFFFAOYSA-N
Compound name
1-anilino-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

401.2467 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.253976 197.9
[M+Na]+ 424.235918 197.2
[M-H]- 400.239424 203.8
[M+NH4]+ 419.280523 202.8
[M+K]+ 440.209858 190.2
[M+H-H2O]+ 384.243960 184.8
[M+HCOO]- 446.244901 211.1
[M+CH3COO]- 460.260551 203.1
[M+Na-2H]- 422.221366 199.0
[M]+ 401.24615142 190.2
[M]- 401.24724858 190.2
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

patents stripe