CID 113328

Einecs 264-304-7

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 159.7
[M-H]- 277.03355 152.8
[M+NH4]+ 296.07465 165.8
[M+K]+ 317.00399 152.4
[M+H-H2O]+ 261.03809 145.1
[M+HCOO]- 323.03903 163.8
[M+CH3COO]- 337.05468 161.9
[M+Na-2H]- 299.01550 156.7
[M]+ 278.04028 148.9
[M]- 278.04138 148.9
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.