CID 60405

Methyl 10-(3-morpholinopropyl)phenothiazin-2-yl ketone

Structural Information

Molecular Formula
C21H24N2O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCOCC4
InChI
InChI=1S/C21H24N2O2S/c1-16(24)17-7-8-21-19(15-17)23(18-5-2-3-6-20(18)26-21)10-4-9-22-11-13-25-14-12-22/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey
LHIVZMCFFLIJNK-UHFFFAOYSA-N
Compound name
1-[10-(3-morpholin-4-ylpropyl)phenothiazin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.15585 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16313 185.5
[M+Na]+ 391.14507 190.6
[M-H]- 367.14857 190.0
[M+NH4]+ 386.18967 195.8
[M+K]+ 407.11901 185.8
[M+H-H2O]+ 351.15311 175.5
[M+HCOO]- 413.15405 192.5
[M+CH3COO]- 427.16970 193.4
[M+Na-2H]- 389.13052 187.2
[M]+ 368.15530 185.2
[M]- 368.15640 185.2
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

No patent data available for this compound.