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]+ 197.11453 145.3
[M+Na]+ 219.09647 150.2
[M-H]- 195.09997 149.3
[M+NH4]+ 214.14107 162.0
[M+K]+ 235.07041 150.8
[M+H-H2O]+ 179.10451 136.7
[M+HCOO]- 241.10545 171.7
[M+CH3COO]- 255.12110 197.8
[M+Na-2H]- 217.08192 148.7
[M]+ 196.10670 140.6
[M]- 196.10780 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.