CID 3068843

83881-42-9

Structural Information

Molecular Formula
C21H26ClN3O2
SMILES
C1CN(CCN1CCOCC(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H26ClN3O2/c22-19-9-5-4-8-18(19)21(17-6-2-1-3-7-17)25-12-10-24(11-13-25)14-15-27-16-20(23)26/h1-9,21H,10-16H2,(H2,23,26)
InChIKey
BJZQCAYZCQPFBM-UHFFFAOYSA-N
Compound name
2-[2-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

387.17136 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17864 192.8
[M+Na]+ 410.16058 195.6
[M-H]- 386.16408 197.3
[M+NH4]+ 405.20518 200.7
[M+K]+ 426.13452 189.3
[M+H-H2O]+ 370.16862 181.6
[M+HCOO]- 432.16956 203.4
[M+CH3COO]- 446.18521 220.4
[M+Na-2H]- 408.14603 192.1
[M]+ 387.17081 190.6
[M]- 387.17191 190.6
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

patents stripe