CID 254221

Nsc78196

Structural Information

Molecular Formula
C19H23NS
SMILES
CN(C)CCCCC1C2=CC=CC=C2SC3=CC=CC=C13
InChI
InChI=1S/C19H23NS/c1-20(2)14-8-7-9-15-16-10-3-5-12-18(16)21-19-13-6-4-11-17(15)19/h3-6,10-13,15H,7-9,14H2,1-2H3
InChIKey
XNOHHDSGPYPUKG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(9H-thioxanthen-9-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15512 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16240 167.7
[M+Na]+ 320.14434 173.8
[M-H]- 296.14784 173.4
[M+NH4]+ 315.18894 186.1
[M+K]+ 336.11828 168.9
[M+H-H2O]+ 280.15238 160.1
[M+HCOO]- 342.15332 183.5
[M+CH3COO]- 356.16897 178.7
[M+Na-2H]- 318.12979 171.9
[M]+ 297.15457 170.8
[M]- 297.15567 170.8
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.