CID 355790

Nsc610142

Structural Information

Molecular Formula
C6H7N5O2S
SMILES
COC(=O)NC1=CN2C(=N1)SC(=N2)N
InChI
InChI=1S/C6H7N5O2S/c1-13-6(12)9-3-2-11-5(8-3)14-4(7)10-11/h2H,1H3,(H2,7,10)(H,9,12)
InChIKey
KGWQSWHNXFPEAQ-UHFFFAOYSA-N
Compound name
methyl N-(2-aminoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.03204 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03932 140.4
[M+Na]+ 236.02126 152.0
[M-H]- 212.02476 142.7
[M+NH4]+ 231.06586 160.1
[M+K]+ 251.99520 150.1
[M+H-H2O]+ 196.02930 133.8
[M+HCOO]- 258.03024 161.0
[M+CH3COO]- 272.04589 186.2
[M+Na-2H]- 234.00671 143.8
[M]+ 213.03149 144.9
[M]- 213.03259 144.9
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.