CID 3063225

Brn 0699030

Structural Information

Molecular Formula
C22H28N2O2
SMILES
C1CN(CCC1CCO)CCCN2C3=CC=CC=C3OC4=CC=CC=C42
InChI
InChI=1S/C22H28N2O2/c25-17-12-18-10-15-23(16-11-18)13-5-14-24-19-6-1-3-8-21(19)26-22-9-4-2-7-20(22)24/h1-4,6-9,18,25H,5,10-17H2
InChIKey
DHRIQUVLTBDDEP-UHFFFAOYSA-N
Compound name
2-[1-(3-phenoxazin-10-ylpropyl)piperidin-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.4
[M+Na]+ 375.20432 191.2
[M-H]- 351.20782 190.2
[M+NH4]+ 370.24892 196.9
[M+K]+ 391.17826 185.7
[M+H-H2O]+ 335.21236 176.0
[M+HCOO]- 397.21330 197.7
[M+CH3COO]- 411.22895 194.5
[M+Na-2H]- 373.18977 190.9
[M]+ 352.21455 184.2
[M]- 352.21565 184.2
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

patents stripe