CID 3042727

Pyrazine, 3,3'-dithiobis(ethyleneimino)di-

Structural Information

Molecular Formula
C12H16N6S2
SMILES
C1=CN=C(C=N1)NCCSSCCNC2=NC=CN=C2
InChI
InChI=1S/C12H16N6S2/c1-3-15-11(9-13-1)17-5-7-19-20-8-6-18-12-10-14-2-4-16-12/h1-4,9-10H,5-8H2,(H,15,17)(H,16,18)
InChIKey
WDZPFJMMFKTLIH-UHFFFAOYSA-N
Compound name
N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0878 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09508 159.1
[M+Na]+ 331.07702 166.3
[M-H]- 307.08052 159.6
[M+NH4]+ 326.12162 168.6
[M+K]+ 347.05096 158.6
[M+H-H2O]+ 291.08506 149.6
[M+HCOO]- 353.08600 170.7
[M+CH3COO]- 367.10165 168.1
[M+Na-2H]- 329.06247 165.2
[M]+ 308.08725 160.7
[M]- 308.08835 160.7
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.