CID 3087352

114000-42-9

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCOC1=CC=CC=C1C(=O)OC(CN2CCN(CC2)C)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O3/c1-3-26-20-12-8-7-11-19(20)22(25)27-21(18-9-5-4-6-10-18)17-24-15-13-23(2)14-16-24/h4-12,21H,3,13-17H2,1-2H3
InChIKey
FZGLNPLMRPWVAX-UHFFFAOYSA-N
Compound name
[2-(4-methylpiperazin-1-yl)-1-phenylethyl] 2-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.217276 191.2
[M+Na]+ 391.199218 193.5
[M-H]- 367.202724 196.3
[M+NH4]+ 386.243823 199.4
[M+K]+ 407.173158 189.6
[M+H-H2O]+ 351.207260 179.4
[M+HCOO]- 413.208201 205.7
[M+CH3COO]- 427.223851 216.8
[M+Na-2H]- 389.184666 190.7
[M]+ 368.20945142 189.8
[M]- 368.21054858 189.8
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.