CID 13983

1053-74-3

Structural Information

Molecular Formula
C22H27N3OS
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C
InChI
InChI=1S/C22H27N3OS/c1-17(26)18-8-9-22-20(16-18)25(19-6-3-4-7-21(19)27-22)11-5-10-24-14-12-23(2)13-15-24/h3-4,6-9,16H,5,10-15H2,1-2H3
InChIKey
WKCTYFQBCFYMAR-UHFFFAOYSA-N
Compound name
1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

381.18747 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19475 191.5
[M+Na]+ 404.17669 205.6
[M+NH4]+ 399.22129 200.0
[M+K]+ 420.15063 194.5
[M-H]- 380.18019 195.9
[M+Na-2H]- 402.16214 196.9
[M]+ 381.18692 195.3
[M]- 381.18802 195.3
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