CID 60452

Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-22-12-14-23(15-13-22)16-17-25-21(24)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKey
NYRJMJMHZYTWMC-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.7
[M+Na]+ 361.18865 185.7
[M-H]- 337.19215 188.6
[M+NH4]+ 356.23325 193.0
[M+K]+ 377.16259 181.2
[M+H-H2O]+ 321.19669 172.1
[M+HCOO]- 383.19763 198.4
[M+CH3COO]- 397.21328 210.6
[M+Na-2H]- 359.17410 184.4
[M]+ 338.19888 180.1
[M]- 338.19998 180.1
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.