CID 3074313

156213-24-0

Structural Information

Molecular Formula
C23H25ClN2OS
SMILES
C1CCN2CCC[C@H](C2C1)CC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C23H25ClN2OS/c24-17-10-11-22-20(15-17)26(19-8-1-2-9-21(19)28-22)23(27)14-16-6-5-13-25-12-4-3-7-18(16)25/h1-2,8-11,15-16,18H,3-7,12-14H2/t16-,18?/m0/s1
InChIKey
XEJPICPNWDTWAV-ATNAJCNCSA-N
Compound name
2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-(2-chlorophenothiazin-10-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1376 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14488 192.8
[M+Na]+ 435.12682 197.5
[M-H]- 411.13032 196.4
[M+NH4]+ 430.17142 204.2
[M+K]+ 451.10076 189.7
[M+H-H2O]+ 395.13486 182.8
[M+HCOO]- 457.13580 192.0
[M+CH3COO]- 471.15145 199.1
[M+Na-2H]- 433.11227 193.0
[M]+ 412.13705 189.7
[M]- 412.13815 189.7
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.