CID 3082656

Cgp 29030a

Structural Information

Molecular Formula
C21H25ClN2O3
SMILES
COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C21H25ClN2O3/c1-26-19-13-17(14-20(15-19)27-2)21(25)24-11-9-23(10-12-24)8-7-16-3-5-18(22)6-4-16/h3-6,13-15H,7-12H2,1-2H3
InChIKey
YPLSFHBFZLTZQF-UHFFFAOYSA-N
Compound name
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

388.15536 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16264 193.0
[M+Na]+ 411.14458 198.8
[M-H]- 387.14808 198.9
[M+NH4]+ 406.18918 202.1
[M+K]+ 427.11852 193.1
[M+H-H2O]+ 371.15262 182.0
[M+HCOO]- 433.15356 204.3
[M+CH3COO]- 447.16921 218.9
[M+Na-2H]- 409.13003 192.3
[M]+ 388.15481 195.0
[M]- 388.15591 195.0
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

patents stripe