CID 366828

Nsc635600

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CCN(CC)CC(=O)NC1C2=CC=CC=C2SC3=C(C=CC=C13)C
InChI
InChI=1S/C20H24N2OS/c1-4-22(5-2)13-18(23)21-19-15-10-6-7-12-17(15)24-20-14(3)9-8-11-16(19)20/h6-12,19H,4-5,13H2,1-3H3,(H,21,23)
InChIKey
NDEXVJUDJPXWDO-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16095 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.168226 178.6
[M+Na]+ 363.150168 183.9
[M-H]- 339.153674 184.1
[M+NH4]+ 358.194773 194.8
[M+K]+ 379.124108 179.3
[M+H-H2O]+ 323.158210 170.6
[M+HCOO]- 385.159151 194.1
[M+CH3COO]- 399.174801 221.4
[M+Na-2H]- 361.135616 181.4
[M]+ 340.16040142 181.7
[M]- 340.16149858 181.7
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.