CID 501373

Chembl135303

Structural Information

Molecular Formula
C21H25ClN2O3
SMILES
C1CN(CCN1CCO)CCOC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H25ClN2O3/c22-19-5-1-17(2-6-19)21(26)18-3-7-20(8-4-18)27-16-14-24-11-9-23(10-12-24)13-15-25/h1-8,25H,9-16H2
InChIKey
MGVVYGKYGBMZQG-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.15536 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16264 192.3
[M+Na]+ 411.14458 196.6
[M-H]- 387.14808 196.3
[M+NH4]+ 406.18918 200.3
[M+K]+ 427.11852 190.0
[M+H-H2O]+ 371.15262 181.4
[M+HCOO]- 433.15356 202.1
[M+CH3COO]- 447.16921 216.0
[M+Na-2H]- 409.13003 192.0
[M]+ 388.15481 192.2
[M]- 388.15591 192.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.