CID 3045554

Imidodicarbonimidic diamide, n-butyl-n'-(3,5-dimethyl-4-isoxazolyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H20N6O
SMILES
CCCCN(C(=N)N)C(=NC1=C(ON=C1C)C)N
InChI
InChI=1S/C11H20N6O/c1-4-5-6-17(10(12)13)11(14)15-9-7(2)16-18-8(9)3/h4-6H2,1-3H3,(H3,12,13)(H2,14,15)
InChIKey
WAGBGFVZFZNEJI-UHFFFAOYSA-N
Compound name
1-butyl-1-carbamimidoyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.16986 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17714 163.2
[M+Na]+ 275.15908 168.1
[M+NH4]+ 270.20368 167.9
[M+K]+ 291.13302 167.4
[M-H]- 251.16258 166.2
[M+Na-2H]- 273.14453 164.8
[M]+ 252.16931 163.9
[M]- 252.17041 163.9
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.