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

67
Patents

214.05244 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.059716 144.8
[M+Na]+ 237.041658 151.8
[M-H]- 213.045164 148.0
[M+NH4]+ 232.086263 163.5
[M+K]+ 253.015598 150.2
[M+H-H2O]+ 197.049700 137.2
[M+HCOO]- 259.050641 166.0
[M+CH3COO]- 273.066291 191.9
[M+Na-2H]- 235.027106 145.4
[M]+ 214.05189142 145.3
[M]- 214.05298858 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