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]+ 256.11545 154.0
[M+Na]+ 278.09739 161.6
[M-H]- 254.10089 160.4
[M+NH4]+ 273.14199 174.2
[M+K]+ 294.07133 157.3
[M+H-H2O]+ 238.10543 147.1
[M+HCOO]- 300.10637 170.9
[M+CH3COO]- 314.12202 166.4
[M+Na-2H]- 276.08284 159.8
[M]+ 255.10762 156.2
[M]- 255.10872 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.