CID 3043035

54969-10-7

Structural Information

Molecular Formula
C18H25F3N2S
SMILES
CN(C)CCN1C2CCCCCC2SC3=C1C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C18H25F3N2S/c1-22(2)10-11-23-14-6-4-3-5-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h8-9,12,14,16H,3-7,10-11H2,1-2H3
InChIKey
GKSZQUFKEZHDHC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.16907 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17635 173.7
[M+Na]+ 381.15829 179.5
[M+NH4]+ 376.20289 179.8
[M+K]+ 397.13223 173.3
[M-H]- 357.16179 172.5
[M+Na-2H]- 379.14374 175.6
[M]+ 358.16852 174.4
[M]- 358.16962 174.4
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.