CID 2736342

Ethyl 2-carbamimidamido-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H10N4O2S
SMILES
CCOC(=O)C1=CSC(=N1)N=C(N)N
InChI
InChI=1S/C7H10N4O2S/c1-2-13-5(12)4-3-14-7(10-4)11-6(8)9/h3H,2H2,1H3,(H4,8,9,10,11)
InChIKey
LBSBQVAGEVSBQP-UHFFFAOYSA-N
Compound name
ethyl 2-(diaminomethylideneamino)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

214.05244 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05972 144.8
[M+Na]+ 237.04166 151.8
[M-H]- 213.04516 148.0
[M+NH4]+ 232.08626 163.5
[M+K]+ 253.01560 150.2
[M+H-H2O]+ 197.04970 137.2
[M+HCOO]- 259.05064 166.0
[M+CH3COO]- 273.06629 191.9
[M+Na-2H]- 235.02711 145.4
[M]+ 214.05189 145.3
[M]- 214.05299 145.3
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

patents stripe