CID 3077588

Brn 4883373

Structural Information

Molecular Formula
C21H13Cl2NOS
SMILES
C1=CC=C(C=C1)C(=O)CSC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)Cl
InChI
InChI=1S/C21H13Cl2NOS/c22-14-7-9-18-17(10-14)21(16-8-6-15(23)11-19(16)24-18)26-12-20(25)13-4-2-1-3-5-13/h1-11H,12H2
InChIKey
KIOXREQQGXFMJV-UHFFFAOYSA-N
Compound name
2-(2,6-dichloroacridin-9-yl)sulfanyl-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0095 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.01678 185.0
[M+Na]+ 419.99872 197.0
[M-H]- 396.00222 191.9
[M+NH4]+ 415.04332 199.0
[M+K]+ 435.97266 188.1
[M+H-H2O]+ 380.00676 177.5
[M+HCOO]- 442.00770 191.5
[M+CH3COO]- 456.02335 195.6
[M+Na-2H]- 417.98417 189.2
[M]+ 397.00895 193.5
[M]- 397.01005 193.5
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.