CID 3033262

Usaf mk-71

Structural Information

Molecular Formula
C28H20N2O2S2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC(=S)C(=S)NC4C5=CC=CC=C5OC6=CC=CC=C46
InChI
InChI=1S/C28H20N2O2S2/c33-27(29-25-17-9-1-5-13-21(17)31-22-14-6-2-10-18(22)25)28(34)30-26-19-11-3-7-15-23(19)32-24-16-8-4-12-20(24)26/h1-16,25-26H,(H,29,33)(H,30,34)
InChIKey
SBVQYBDLFICOMC-UHFFFAOYSA-N
Compound name
N,N'-bis(9H-xanthen-9-yl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.09662 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.10390 198.9
[M+Na]+ 503.08584 204.8
[M-H]- 479.08934 207.3
[M+NH4]+ 498.13044 207.4
[M+K]+ 519.05978 199.4
[M+H-H2O]+ 463.09388 190.3
[M+HCOO]- 525.09482 204.1
[M+CH3COO]- 539.11047 206.0
[M+Na-2H]- 501.07129 206.9
[M]+ 480.09607 199.8
[M]- 480.09717 199.8
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.