CID 57235

3-n-butyryl-10-(3'-morpholinopropyl)phenothiazin

Structural Information

Molecular Formula
C23H28N2O2S
SMILES
CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCOCC4
InChI
InChI=1S/C23H28N2O2S/c1-2-6-21(26)18-9-10-23-20(17-18)25(19-7-3-4-8-22(19)28-23)12-5-11-24-13-15-27-16-14-24/h3-4,7-10,17H,2,5-6,11-16H2,1H3
InChIKey
UHDGFGHAZFXBCG-UHFFFAOYSA-N
Compound name
1-[10-(3-morpholin-4-ylpropyl)phenothiazin-2-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.18716 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19444 194.1
[M+Na]+ 419.17638 198.2
[M-H]- 395.17988 198.1
[M+NH4]+ 414.22098 203.2
[M+K]+ 435.15032 193.0
[M+H-H2O]+ 379.18442 183.7
[M+HCOO]- 441.18536 200.4
[M+CH3COO]- 455.20101 201.1
[M+Na-2H]- 417.16183 194.8
[M]+ 396.18661 194.3
[M]- 396.18771 194.3
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

No patent data available for this compound.