CID 113748

Brn 0847257

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]+ 371.19655 190.8
[M+Na]+ 393.17849 203.3
[M+NH4]+ 388.22309 196.5
[M+K]+ 409.15243 196.4
[M-H]- 369.18199 194.5
[M+Na-2H]- 391.16394 197.7
[M]+ 370.18872 193.5
[M]- 370.18982 193.5
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.