CID 113748

3-{2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy}benzaldehyde

Structural Information

Molecular Formula
C21H26N2O4
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CC(COC3=CC=CC(=C3)C=O)O
InChI
InChI=1S/C21H26N2O4/c1-26-20-6-3-5-18(13-20)23-10-8-22(9-11-23)14-19(25)16-27-21-7-2-4-17(12-21)15-24/h2-7,12-13,15,19,25H,8-11,14,16H2,1H3
InChIKey
PZCDSVSZCJTGDJ-UHFFFAOYSA-N
Compound name
3-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 189.7
[M+Na]+ 393.178488 193.1
[M-H]- 369.181994 194.0
[M+NH4]+ 388.223093 197.4
[M+K]+ 409.152428 188.7
[M+H-H2O]+ 353.186530 178.3
[M+HCOO]- 415.187471 204.3
[M+CH3COO]- 429.203121 214.6
[M+Na-2H]- 391.163936 189.9
[M]+ 370.18872142 188.7
[M]- 370.18981858 188.7
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.