CID 5568

Triflupromazine

Structural Information

Molecular Formula
C18H19F3N2S
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
XSCGXQMFQXDFCW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

443
References

10492
Patents

352.1221 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12938 178.6
[M+Na]+ 375.11132 186.6
[M-H]- 351.11482 179.3
[M+NH4]+ 370.15592 193.5
[M+K]+ 391.08526 180.7
[M+H-H2O]+ 335.11936 167.9
[M+HCOO]- 397.12030 188.5
[M+CH3COO]- 411.13595 219.4
[M+Na-2H]- 373.09677 181.5
[M]+ 352.12155 178.5
[M]- 352.12265 178.5
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