CID 216008

36999-88-9

Structural Information

Molecular Formula
C4H4N6S4
SMILES
C1(=NN=C(S1)SSC2=NN=C(S2)N)N
InChI
InChI=1S/C4H4N6S4/c5-1-7-9-3(11-1)13-14-4-10-8-2(6)12-4/h(H2,5,7)(H2,6,8)
InChIKey
SYZMRQPVVFJNHQ-UHFFFAOYSA-N
Compound name
5-[(5-amino-1,3,4-thiadiazol-2-yl)disulfanyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

263.93802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.94530 143.0
[M+Na]+ 286.92724 157.5
[M-H]- 262.93074 144.4
[M+NH4]+ 281.97184 158.2
[M+K]+ 302.90118 148.5
[M+H-H2O]+ 246.93528 138.3
[M+HCOO]- 308.93622 147.4
[M+CH3COO]- 322.95187 154.2
[M+Na-2H]- 284.91269 142.8
[M]+ 263.93747 142.3
[M]- 263.93857 142.3
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

patents stripe