CID 24846990

Thioxanthene-9-methylamine, n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C16H17NS
SMILES
CN(C)CC1C2=CC=CC=C2SC3=CC=CC=C13
InChI
InChI=1S/C16H17NS/c1-17(2)11-14-12-7-3-5-9-15(12)18-16-10-6-4-8-13(14)16/h3-10,14H,11H2,1-2H3
InChIKey
XRASENOEGZOBPY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(9H-thioxanthen-9-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10817 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.115446 154.0
[M+Na]+ 278.097388 161.6
[M-H]- 254.100894 160.4
[M+NH4]+ 273.141993 174.2
[M+K]+ 294.071328 157.3
[M+H-H2O]+ 238.105430 147.1
[M+HCOO]- 300.106371 170.9
[M+CH3COO]- 314.122021 166.4
[M+Na-2H]- 276.082836 159.8
[M]+ 255.10762142 156.2
[M]- 255.10871858 156.2
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.