CID 113328

Carbamimidothioic acid, 2,3-quinoxalinediyl ester, dihydrochloride

Structural Information

Molecular Formula
C10H10N6S2
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)SC(=N)N)SC(=N)N
InChI
InChI=1S/C10H10N6S2/c11-9(12)17-7-8(18-10(13)14)16-6-4-2-1-3-5(6)15-7/h1-4H,(H3,11,12)(H3,13,14)
InChIKey
WLXMEODUOFCWDN-UHFFFAOYSA-N
Compound name
(3-carbamimidoylsulfanylquinoxalin-2-yl) carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.04083 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04811 152.4
[M+Na]+ 301.03005 160.6
[M+NH4]+ 296.07465 159.3
[M+K]+ 317.00399 152.9
[M-H]- 277.03355 155.2
[M+Na-2H]- 299.01550 157.2
[M]+ 278.04028 154.8
[M]- 278.04138 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.