CID 211212

22662-33-5

Structural Information

Molecular Formula
C22H29ClN2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CCCN2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H29ClN2O3/c1-26-20-15-17(16-21(27-2)22(20)28-3)7-6-10-24-11-13-25(14-12-24)19-9-5-4-8-18(19)23/h4-5,8-9,15-16H,6-7,10-14H2,1-3H3
InChIKey
DETHDUPXCIGXKY-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.18668 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19396 199.0
[M+Na]+ 427.17590 205.2
[M-H]- 403.17940 204.9
[M+NH4]+ 422.22050 207.9
[M+K]+ 443.14984 199.4
[M+H-H2O]+ 387.18394 187.7
[M+HCOO]- 449.18488 210.7
[M+CH3COO]- 463.20053 223.5
[M+Na-2H]- 425.16135 198.1
[M]+ 404.18613 203.1
[M]- 404.18723 203.1
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.