CID 368245

1'-oxo perazine

Structural Information

Molecular Formula
C20H23N3OS
SMILES
CN1CCN(CC1)C(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H23N3OS/c1-21-12-14-22(15-13-21)20(24)10-11-23-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)23/h2-9H,10-15H2,1H3
InChIKey
OELLRNXFVAVVKM-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-3-phenothiazin-10-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1562 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16348 182.7
[M+Na]+ 376.14542 188.3
[M-H]- 352.14892 185.3
[M+NH4]+ 371.19002 193.6
[M+K]+ 392.11936 181.7
[M+H-H2O]+ 336.15346 172.3
[M+HCOO]- 398.15440 189.3
[M+CH3COO]- 412.17005 190.3
[M+Na-2H]- 374.13087 184.3
[M]+ 353.15565 180.6
[M]- 353.15675 180.6
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.