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

literature stripe

Patent stripe

patents stripe