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 203.2
[M+Na]+ 437.21996 203.2
[M-H]- 413.22346 210.4
[M+NH4]+ 432.26456 208.3
[M+K]+ 453.19390 197.4
[M+H-H2O]+ 397.22800 189.7
[M+HCOO]- 459.22894 215.8
[M+CH3COO]- 473.24459 208.8
[M+Na-2H]- 435.20541 202.1
[M]+ 414.23019 198.0
[M]- 414.23129 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.