CID 3045530

Imidodicarbonimidic diamide, n-(5-ethyl-3-isoxazolyl)-

Structural Information

Molecular Formula
C7H12N6O
SMILES
CCC1=CC(=NO1)N(C(=N)N)C(=N)N
InChI
InChI=1S/C7H12N6O/c1-2-4-3-5(12-14-4)13(6(8)9)7(10)11/h3H,2H2,1H3,(H3,8,9)(H3,10,11)
InChIKey
MNGLWVJZJOKYBH-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-(5-ethyl-1,2-oxazol-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10725 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.114526 145.3
[M+Na]+ 219.096468 150.2
[M-H]- 195.099974 149.3
[M+NH4]+ 214.141073 162.0
[M+K]+ 235.070408 150.8
[M+H-H2O]+ 179.104510 136.7
[M+HCOO]- 241.105451 171.7
[M+CH3COO]- 255.121101 197.8
[M+Na-2H]- 217.081916 148.7
[M]+ 196.10670142 140.6
[M]- 196.10779858 140.6
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.