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]+ 359.15208 186.1
[M+Na]+ 381.13402 191.7
[M-H]- 357.13752 191.4
[M+NH4]+ 376.17862 196.1
[M+K]+ 397.10796 184.9
[M+H-H2O]+ 341.14206 174.9
[M+HCOO]- 403.14300 198.4
[M+CH3COO]- 417.15865 212.5
[M+Na-2H]- 379.11947 187.5
[M]+ 358.14425 186.4
[M]- 358.14535 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.