CID 59907

Brn 0855313

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3N2CCCN4CCC(CC4)CCO
InChI
InChI=1S/C24H30N2O3/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3
InChIKey
GGVIBPJUFGADHC-UHFFFAOYSA-N
Compound name
1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenoxazin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.22565 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.232926 199.2
[M+Na]+ 417.214868 202.8
[M-H]- 393.218374 202.2
[M+NH4]+ 412.259473 207.0
[M+K]+ 433.188808 197.6
[M+H-H2O]+ 377.222910 187.8
[M+HCOO]- 439.223851 208.1
[M+CH3COO]- 453.239501 205.5
[M+Na-2H]- 415.200316 199.9
[M]+ 394.22510142 197.3
[M]- 394.22619858 197.3
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