CID 119776

Brn 0442155

Structural Information

Molecular Formula
C15H14N2O3S2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCSS(=O)(=O)O
InChI
InChI=1S/C15H14N2O3S2/c18-22(19,20)21-10-9-16-15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)15/h1-8H,9-10H2,(H,16,17)(H,18,19,20)
InChIKey
LBVWPKTYUAVUEG-UHFFFAOYSA-N
Compound name
9-(2-sulfosulfanylethylamino)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05188 169.4
[M+Na]+ 357.03382 182.6
[M+NH4]+ 352.07842 177.6
[M+K]+ 373.00776 172.0
[M-H]- 333.03732 171.9
[M+Na-2H]- 355.01927 176.0
[M]+ 334.04405 173.1
[M]- 334.04515 173.1
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.