CID 3042438

Usaf ea-11

Structural Information

Molecular Formula
C7H6N4O3S
SMILES
C1=C(OC(=C1)[N+](=O)[O-])CC2=NN=C(S2)N
InChI
InChI=1S/C7H6N4O3S/c8-7-10-9-5(15-7)3-4-1-2-6(14-4)11(12)13/h1-2H,3H2,(H2,8,10)
InChIKey
MGCMIPDRRDXLSG-UHFFFAOYSA-N
Compound name
5-[(5-nitrofuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.01607 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02335 142.4
[M+Na]+ 249.00529 152.3
[M-H]- 225.00879 148.8
[M+NH4]+ 244.04989 159.4
[M+K]+ 264.97923 146.6
[M+H-H2O]+ 209.01333 139.9
[M+HCOO]- 271.01427 165.1
[M+CH3COO]- 285.02992 180.1
[M+Na-2H]- 246.99074 147.8
[M]+ 226.01552 144.2
[M]- 226.01662 144.2
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.