CID 3048662

63917-55-5

Structural Information

Molecular Formula
C19H27F3N2S
SMILES
CN(C)CCCN1C2CCCCCC2SC3=C1C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H27F3N2S/c1-23(2)11-6-12-24-15-7-4-3-5-8-17(15)25-18-10-9-14(13-16(18)24)19(20,21)22/h9-10,13,15,17H,3-8,11-12H2,1-2H3
InChIKey
ABWQIGFASJXYFC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1847 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19198 177.6
[M+Na]+ 395.17392 183.2
[M+NH4]+ 390.21852 183.5
[M+K]+ 411.14786 176.8
[M-H]- 371.17742 176.3
[M+Na-2H]- 393.15937 179.3
[M]+ 372.18415 178.2
[M]- 372.18525 178.2
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.