CID 969494

Ftormetazine

Structural Information

Molecular Formula
C21H22F3N3OS
SMILES
CN1CCN(CC1)CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H22F3N3OS/c1-25-10-12-26(13-11-25)9-8-20(28)27-16-4-2-3-5-18(16)29-19-7-6-15(14-17(19)27)21(22,23)24/h2-7,14H,8-13H2,1H3
InChIKey
DOUQJBPSTIKRPH-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

39
Patents

421.14355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.15083 198.9
[M+Na]+ 444.13277 205.4
[M-H]- 420.13627 197.7
[M+NH4]+ 439.17737 207.2
[M+K]+ 460.10671 197.7
[M+H-H2O]+ 404.14081 186.1
[M+HCOO]- 466.14175 200.3
[M+CH3COO]- 480.15740 204.5
[M+Na-2H]- 442.11822 198.4
[M]+ 421.14300 194.0
[M]- 421.14410 194.0
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.