CID 19687

Homofenazine

Structural Information

Molecular Formula
C23H28F3N3OS
SMILES
C1CN(CCN(C1)CCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C23H28F3N3OS/c24-23(25,26)18-7-8-22-20(17-18)29(19-5-1-2-6-21(19)31-22)12-4-11-27-9-3-10-28(14-13-27)15-16-30/h1-2,5-8,17,30H,3-4,9-16H2
InChIKey
LOHNHQLZFYCAEQ-UHFFFAOYSA-N
Compound name
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,4-diazepan-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

488
Patents

451.19052 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.19780 203.0
[M+Na]+ 474.17974 207.2
[M-H]- 450.18324 201.6
[M+NH4]+ 469.22434 209.2
[M+K]+ 490.15368 203.4
[M+H-H2O]+ 434.18778 190.7
[M+HCOO]- 496.18872 203.8
[M+CH3COO]- 510.20437 207.3
[M+Na-2H]- 472.16519 202.1
[M]+ 451.18997 195.6
[M]- 451.19107 195.6
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