CID 44165

Brn 0849831

Structural Information

Molecular Formula
C22H26N2O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)O
InChI
InChI=1S/C22H26N2O2S/c1-16(25)17-7-8-22-20(15-17)24(19-5-2-3-6-21(19)27-22)12-4-11-23-13-9-18(26)10-14-23/h2-3,5-8,15,18,26H,4,9-14H2,1H3
InChIKey
DLWJNKDDRZZCDO-UHFFFAOYSA-N
Compound name
1-[10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1715 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17878 189.7
[M+Na]+ 405.16072 194.4
[M-H]- 381.16422 192.2
[M+NH4]+ 400.20532 200.2
[M+K]+ 421.13466 187.6
[M+H-H2O]+ 365.16876 180.2
[M+HCOO]- 427.16970 195.5
[M+CH3COO]- 441.18535 196.6
[M+Na-2H]- 403.14617 189.7
[M]+ 382.17095 187.9
[M]- 382.17205 187.9
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.