CID 199379

Brn 0630016

Structural Information

Molecular Formula
C26H29ClN2O
SMILES
CC(CN1CCN(CC1)C2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C26H29ClN2O/c1-21(20-28-16-18-29(19-17-28)25-14-12-24(27)13-15-25)26(30,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,21,30H,16-20H2,1H3
InChIKey
GPNGOMDRBGZFIN-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.19684 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20412 203.5
[M+Na]+ 443.18606 206.2
[M-H]- 419.18956 209.9
[M+NH4]+ 438.23066 209.4
[M+K]+ 459.16000 197.9
[M+H-H2O]+ 403.19410 191.2
[M+HCOO]- 465.19504 210.5
[M+CH3COO]- 479.21069 209.4
[M+Na-2H]- 441.17151 204.3
[M]+ 420.19629 199.4
[M]- 420.19739 199.4
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

No patent data available for this compound.