CID 55238

Brn 4549556

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCCOC3=CC=CC(=C3)C=O
InChI
InChI=1S/C21H26N2O3/c1-25-20-8-6-19(7-9-20)23-13-11-22(12-14-23)10-3-15-26-21-5-2-4-18(16-21)17-24/h2,4-9,16-17H,3,10-15H2,1H3
InChIKey
QLUSPMVEXJZGDH-UHFFFAOYSA-N
Compound name
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 187.2
[M+Na]+ 377.18356 191.5
[M-H]- 353.18706 192.7
[M+NH4]+ 372.22816 196.5
[M+K]+ 393.15750 186.7
[M+H-H2O]+ 337.19160 175.4
[M+HCOO]- 399.19254 204.1
[M+CH3COO]- 413.20819 213.9
[M+Na-2H]- 375.16901 188.7
[M]+ 354.19379 187.1
[M]- 354.19489 187.1
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.