CID 59603

102585-50-2

Structural Information

Molecular Formula
C27H30N2O2
SMILES
CN1CCN(CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H30N2O2/c1-28-17-19-29(20-18-28)25(22-11-5-2-6-12-22)21-31-27(30)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25-26H,17-21H2,1H3
InChIKey
KZEVKKDCLWEBHQ-UHFFFAOYSA-N
Compound name
[2-(4-methylpiperazin-1-yl)-2-phenylethyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.23074 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.238016 203.2
[M+Na]+ 437.219958 203.2
[M-H]- 413.223464 210.4
[M+NH4]+ 432.264563 208.3
[M+K]+ 453.193898 197.4
[M+H-H2O]+ 397.228000 189.7
[M+HCOO]- 459.228941 215.8
[M+CH3COO]- 473.244591 208.8
[M+Na-2H]- 435.205406 202.1
[M]+ 414.23019142 198.0
[M]- 414.23128858 198.0
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.