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 189.7
[M+Na]+ 393.17849 193.1
[M-H]- 369.18199 194.0
[M+NH4]+ 388.22309 197.4
[M+K]+ 409.15243 188.7
[M+H-H2O]+ 353.18653 178.3
[M+HCOO]- 415.18747 204.3
[M+CH3COO]- 429.20312 214.6
[M+Na-2H]- 391.16394 189.9
[M]+ 370.18872 188.7
[M]- 370.18982 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.