CID 461508

Chembl154509

Structural Information

Molecular Formula
C15H16N2OS2
SMILES
CN(C)C1=CC=C(C=C1)CN2SC3=CC=CC=C3[S@]2=O
InChI
InChI=1S/C15H16N2OS2/c1-16(2)13-9-7-12(8-10-13)11-17-19-14-5-3-4-6-15(14)20(17)18/h3-10H,11H2,1-2H3/t20-/m1/s1
InChIKey
WTCZLZPKZMIPMC-HXUWFJFHSA-N
Compound name
N,N-dimethyl-4-[[(1R)-1-oxo-1lambda4,3,2-benzodithiazol-2-yl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

304.0704 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07768 165.8
[M+Na]+ 327.05962 175.5
[M-H]- 303.06312 173.6
[M+NH4]+ 322.10422 183.9
[M+K]+ 343.03356 170.3
[M+H-H2O]+ 287.06766 159.1
[M+HCOO]- 349.06860 179.2
[M+CH3COO]- 363.08425 177.8
[M+Na-2H]- 325.04507 166.4
[M]+ 304.06985 170.1
[M]- 304.07095 170.1
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.