CID 366833

Nsc635605

Structural Information

Molecular Formula
C18H20N2OS
SMILES
CC1=C2C(=CC=C1)C(C3=CC=CC=C3S2)NC(=O)CN(C)C
InChI
InChI=1S/C18H20N2OS/c1-12-7-6-9-14-17(19-16(21)11-20(2)3)13-8-4-5-10-15(13)22-18(12)14/h4-10,17H,11H2,1-3H3,(H,19,21)
InChIKey
CLPAQTULVNFIMZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12964 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13692 169.6
[M+Na]+ 335.11886 175.9
[M-H]- 311.12236 175.6
[M+NH4]+ 330.16346 187.0
[M+K]+ 351.09280 171.8
[M+H-H2O]+ 295.12690 162.1
[M+HCOO]- 357.12784 185.9
[M+CH3COO]- 371.14349 215.5
[M+Na-2H]- 333.10431 173.4
[M]+ 312.12909 172.1
[M]- 312.13019 172.1
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.