CID 5931632

Nsc603081

Structural Information

Molecular Formula
C5H4N4O2S2
SMILES
CC1=CSC2=N/C(=N/[N+](=O)[O-])/SN12
InChI
InChI=1S/C5H4N4O2S2/c1-3-2-12-5-6-4(7-9(10)11)13-8(3)5/h2H,1H3/b7-4-
InChIKey
BXEUGZBPVMJUQL-DAXSKMNVSA-N
Compound name
(NZ)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-ylidene)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.97757 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98485 138.3
[M+Na]+ 238.96679 150.3
[M-H]- 214.97029 143.5
[M+NH4]+ 234.01139 159.6
[M+K]+ 254.94073 143.5
[M+H-H2O]+ 198.97483 137.1
[M+HCOO]- 260.97577 157.2
[M+CH3COO]- 274.99142 180.5
[M+Na-2H]- 236.95224 143.9
[M]+ 215.97702 141.7
[M]- 215.97812 141.7
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.