CID 45138909

Schembl7750160

Structural Information

Molecular Formula
C20H23F3N2S
SMILES
CN(C)CCCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H23F3N2S/c1-24(2)12-6-3-7-13-25-16-8-4-5-9-18(16)26-19-11-10-15(14-17(19)25)20(21,22)23/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKey
DVGIHSLYADPMSE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-[2-(trifluoromethyl)phenothiazin-10-yl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

380.1534 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16068 187.6
[M+Na]+ 403.14262 194.7
[M-H]- 379.14612 187.8
[M+NH4]+ 398.18722 201.4
[M+K]+ 419.11656 188.3
[M+H-H2O]+ 363.15066 176.5
[M+HCOO]- 425.15160 196.9
[M+CH3COO]- 439.16725 225.2
[M+Na-2H]- 401.12807 189.5
[M]+ 380.15285 188.1
[M]- 380.15395 188.1
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.