CID 199378

Brn 0630671

Structural Information

Molecular Formula
C27H32N2O2
SMILES
CC(CN1CCN(CC1)C2=CC=C(C=C2)OC)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C27H32N2O2/c1-22(27(30,23-9-5-3-6-10-23)24-11-7-4-8-12-24)21-28-17-19-29(20-18-28)25-13-15-26(31-2)16-14-25/h3-16,22,30H,17-21H2,1-2H3
InChIKey
NDFAQZNRAWMHMT-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.24637 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.25365 204.7
[M+Na]+ 439.23559 205.9
[M-H]- 415.23909 211.1
[M+NH4]+ 434.28019 209.7
[M+K]+ 455.20953 199.5
[M+H-H2O]+ 399.24363 191.9
[M+HCOO]- 461.24457 216.0
[M+CH3COO]- 475.26022 210.3
[M+Na-2H]- 437.22104 205.5
[M]+ 416.24582 199.6
[M]- 416.24692 199.6
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

No patent data available for this compound.