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]+ 415.23802 204.1
[M+Na]+ 437.21996 218.4
[M+NH4]+ 432.26456 211.2
[M+K]+ 453.19390 209.5
[M-H]- 413.22346 211.4
[M+Na-2H]- 435.20541 214.8
[M]+ 414.23019 208.2
[M]- 414.23129 208.2
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

No patent data available for this compound.