CID 55240

Brn 4545865

Structural Information

Molecular Formula
C20H23ClN2O2
SMILES
C1CN(CCN1CCCOC2=CC=CC(=C2)C=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H23ClN2O2/c21-18-5-7-19(8-6-18)23-12-10-22(11-13-23)9-2-14-25-20-4-1-3-17(15-20)16-24/h1,3-8,15-16H,2,9-14H2
InChIKey
ZNGQMNRMNZVCNK-UHFFFAOYSA-N
Compound name
3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1448 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.152076 186.1
[M+Na]+ 381.134018 191.7
[M-H]- 357.137524 191.4
[M+NH4]+ 376.178623 196.1
[M+K]+ 397.107958 184.9
[M+H-H2O]+ 341.142060 174.9
[M+HCOO]- 403.143001 198.4
[M+CH3COO]- 417.158651 212.5
[M+Na-2H]- 379.119466 187.5
[M]+ 358.14425142 186.4
[M]- 358.14534858 186.4
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.