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 171.1
[M+Na]+ 367.05452 179.7
[M-H]- 343.05802 174.9
[M+NH4]+ 362.09912 185.3
[M+K]+ 383.02846 168.6
[M+H-H2O]+ 327.06256 167.8
[M+HCOO]- 389.06350 182.8
[M+CH3COO]- 403.07915 207.1
[M+Na-2H]- 365.03997 177.3
[M]+ 344.06475 175.5
[M]- 344.06585 175.5
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.