CID 359498

Acridine, 4,9-bis(ethylthio)-1-nitro-

Structural Information

Molecular Formula
C17H16N2O2S2
SMILES
CCSC1=CC=C(C2=C(C3=CC=CC=C3N=C12)SCC)[N+](=O)[O-]
InChI
InChI=1S/C17H16N2O2S2/c1-3-22-14-10-9-13(19(20)21)15-16(14)18-12-8-6-5-7-11(12)17(15)23-4-2/h5-10H,3-4H2,1-2H3
InChIKey
NVHKKDFBUAXEPP-UHFFFAOYSA-N
Compound name
4,9-bis(ethylsulfanyl)-1-nitroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0653 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.07258 169.4
[M+Na]+ 367.05452 185.7
[M+NH4]+ 362.09912 179.3
[M+K]+ 383.02846 175.4
[M-H]- 343.05802 175.0
[M+Na-2H]- 365.03997 176.5
[M]+ 344.06475 174.5
[M]- 344.06585 174.5
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.