CID 424929

Nsc169676

Structural Information

Molecular Formula
C24H31F3N4OS
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCNCCO
InChI
InChI=1S/C24H31F3N4OS/c25-24(26,27)19-6-7-23-21(18-19)31(20-4-1-2-5-22(20)33-23)11-3-10-29-13-15-30(16-14-29)12-8-28-9-17-32/h1-2,4-7,18,28,32H,3,8-17H2
InChIKey
QQSBRRVYKYFYQA-UHFFFAOYSA-N
Compound name
2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

480.21707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.22435 211.9
[M+Na]+ 503.20629 215.6
[M-H]- 479.20979 208.4
[M+NH4]+ 498.25089 216.8
[M+K]+ 519.18023 206.5
[M+H-H2O]+ 463.21433 198.5
[M+HCOO]- 525.21527 212.7
[M+CH3COO]- 539.23092 215.2
[M+Na-2H]- 501.19174 212.0
[M]+ 480.21652 206.9
[M]- 480.21762 206.9
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

patents stripe