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

9
Patents

401.2467 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.25398 197.9
[M+Na]+ 424.23592 197.2
[M-H]- 400.23942 203.8
[M+NH4]+ 419.28052 202.8
[M+K]+ 440.20986 190.2
[M+H-H2O]+ 384.24396 184.8
[M+HCOO]- 446.24490 211.1
[M+CH3COO]- 460.26055 203.1
[M+Na-2H]- 422.22137 199.0
[M]+ 401.24615 190.2
[M]- 401.24725 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