CID 3045547

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

Structural Information

Molecular Formula
C8H14N6O
SMILES
CCN=C(N)N(C1=NOC(=C1)C)C(=N)N
InChI
InChI=1S/C8H14N6O/c1-3-12-8(11)14(7(9)10)6-4-5(2)15-13-6/h4H,3H2,1-2H3,(H3,9,10)(H2,11,12)
InChIKey
FLUJMHPHOKKKCD-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-2-ethyl-1-(5-methyl-1,2-oxazol-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.12291 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13019 150.0
[M+Na]+ 233.11213 155.0
[M-H]- 209.11563 155.2
[M+NH4]+ 228.15673 167.0
[M+K]+ 249.08607 156.2
[M+H-H2O]+ 193.12017 141.0
[M+HCOO]- 255.12111 177.6
[M+CH3COO]- 269.13676 202.5
[M+Na-2H]- 231.09758 153.3
[M]+ 210.12236 147.4
[M]- 210.12346 147.4
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.