CID 15774

Fluorophenothiazine dihydrochloride

Structural Information

Molecular Formula
C24H30F3N3O2S
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOCCO
InChI
InChI=1S/C24H30F3N3O2S/c25-24(26,27)19-6-7-23-21(18-19)30(20-4-1-2-5-22(20)33-23)9-3-8-28-10-12-29(13-11-28)14-16-32-17-15-31/h1-2,4-7,18,31H,3,8-17H2
InChIKey
BQVKHSWJSBZCTN-UHFFFAOYSA-N
Compound name
2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

481.20108 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.20836 214.2
[M+Na]+ 504.19030 218.4
[M-H]- 480.19380 210.8
[M+NH4]+ 499.23490 219.2
[M+K]+ 520.16424 210.1
[M+H-H2O]+ 464.19834 200.7
[M+HCOO]- 526.19928 214.1
[M+CH3COO]- 540.21493 233.8
[M+Na-2H]- 502.17575 213.3
[M]+ 481.20053 211.1
[M]- 481.20163 211.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe