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]+ 383.178776 189.7
[M+Na]+ 405.160718 194.4
[M-H]- 381.164224 192.2
[M+NH4]+ 400.205323 200.2
[M+K]+ 421.134658 187.6
[M+H-H2O]+ 365.168760 180.2
[M+HCOO]- 427.169701 195.5
[M+CH3COO]- 441.185351 196.6
[M+Na-2H]- 403.146166 189.7
[M]+ 382.17095142 187.9
[M]- 382.17204858 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.