CID 3024456

Phenoxazine, 10-(3-piperidinopropyl)-

Structural Information

Molecular Formula
C20H24N2O
SMILES
C1CCN(CC1)CCCN2C3=CC=CC=C3OC4=CC=CC=C42
InChI
InChI=1S/C20H24N2O/c1-6-13-21(14-7-1)15-8-16-22-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)22/h2-5,9-12H,1,6-8,13-16H2
InChIKey
VIOXGDDWUXTAJH-UHFFFAOYSA-N
Compound name
10-(3-piperidin-1-ylpropyl)phenoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

308.18887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 174.6
[M+Na]+ 331.17809 179.0
[M-H]- 307.18159 178.8
[M+NH4]+ 326.22269 186.4
[M+K]+ 347.15203 174.0
[M+H-H2O]+ 291.18613 163.2
[M+HCOO]- 353.18707 187.0
[M+CH3COO]- 367.20272 183.1
[M+Na-2H]- 329.16354 180.2
[M]+ 308.18832 170.7
[M]- 308.18942 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe