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]+ 341.16823 178.6
[M+Na]+ 363.15017 183.9
[M-H]- 339.15367 184.1
[M+NH4]+ 358.19477 194.8
[M+K]+ 379.12411 179.3
[M+H-H2O]+ 323.15821 170.6
[M+HCOO]- 385.15915 194.1
[M+CH3COO]- 399.17480 221.4
[M+Na-2H]- 361.13562 181.4
[M]+ 340.16040 181.7
[M]- 340.16150 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.