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]+ 227.06375 143.5
[M+Na]+ 249.04569 155.4
[M-H]- 225.04919 146.8
[M+NH4]+ 244.09029 162.5
[M+K]+ 265.01963 147.8
[M+H-H2O]+ 209.05373 137.4
[M+HCOO]- 271.05467 160.6
[M+CH3COO]- 285.07032 156.5
[M+Na-2H]- 247.03114 151.5
[M]+ 226.05592 143.8
[M]- 226.05702 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.