CID 3078432

9(10h)-acridinethione, 1-amino-

Structural Information

Molecular Formula
C13H10N2S
SMILES
C1=CC=C2C(=C1)C(=S)C3=C(C=CC=C3N2)N
InChI
InChI=1S/C13H10N2S/c14-9-5-3-7-11-12(9)13(16)8-4-1-2-6-10(8)15-11/h1-7H,14H2,(H,15,16)
InChIKey
RUDOXZVKERWYGT-UHFFFAOYSA-N
Compound name
1-amino-10H-acridine-9-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05647 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.063746 143.5
[M+Na]+ 249.045688 155.4
[M-H]- 225.049194 146.8
[M+NH4]+ 244.090293 162.5
[M+K]+ 265.019628 147.8
[M+H-H2O]+ 209.053730 137.4
[M+HCOO]- 271.054671 160.6
[M+CH3COO]- 285.070321 156.5
[M+Na-2H]- 247.031136 151.5
[M]+ 226.05592142 143.8
[M]- 226.05701858 143.8
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.