CID 97676

Bis-a-tda

Structural Information

Molecular Formula
C5H6N6S2
SMILES
C1=NN=C(S1)NCNC2=NN=CS2
InChI
InChI=1S/C5H6N6S2/c1(6-4-10-8-2-12-4)7-5-11-9-3-13-5/h2-3H,1H2,(H,6,10)(H,7,11)
InChIKey
WMAHFAYLCMTHCB-UHFFFAOYSA-N
Compound name
N,N'-bis(1,3,4-thiadiazol-2-yl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

8
Patents

214.00954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01682 134.7
[M+Na]+ 236.99876 146.6
[M-H]- 213.00226 138.1
[M+NH4]+ 232.04336 152.3
[M+K]+ 252.97270 142.7
[M+H-H2O]+ 197.00680 127.2
[M+HCOO]- 259.00774 151.8
[M+CH3COO]- 273.02339 148.1
[M+Na-2H]- 234.98421 138.6
[M]+ 214.00899 137.9
[M]- 214.01009 137.9
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

patents stripe