CID 9587914

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

Structural Information

Molecular Formula
C11H20N6O
SMILES
CCCCN(C(=N)N)/C(=N/C1=C(C(=NO1)C)C)/N
InChI
InChI=1S/C11H20N6O/c1-4-5-6-17(10(12)13)11(14)15-9-7(2)8(3)16-18-9/h4-6H2,1-3H3,(H3,12,13)(H2,14,15)
InChIKey
ATRSGNPCSYJDGK-UHFFFAOYSA-N
Compound name
1-butyl-1-carbamimidoyl-2-(3,4-dimethyl-1,2-oxazol-5-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

252.16986 Da
Monoisotopic Mass

1.1
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.

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No literature data available for this compound.

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No patent data available for this compound.