CID 34637

Ketone, (4-(2-hydroxyethyl)piperazinyl)methyl phenothiazin-10-yl, dihydrochloride

Structural Information

Molecular Formula
C20H23N3O2S
SMILES
C1CN(CCN1CCO)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H23N3O2S/c24-14-13-21-9-11-22(12-10-21)15-20(25)23-16-5-1-3-7-18(16)26-19-8-4-2-6-17(19)23/h1-8,24H,9-15H2
InChIKey
FLJOLBWNNFRXNC-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1511 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15838 185.1
[M+Na]+ 392.14032 190.0
[M-H]- 368.14382 186.3
[M+NH4]+ 387.18492 194.5
[M+K]+ 408.11426 183.2
[M+H-H2O]+ 352.14836 175.0
[M+HCOO]- 414.14930 190.4
[M+CH3COO]- 428.16495 191.8
[M+Na-2H]- 390.12577 186.7
[M]+ 369.15055 182.6
[M]- 369.15165 182.6
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.