CID 3045612

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

Structural Information

Molecular Formula
C9H16N6O
SMILES
CCCCC1=CC(=NO1)N(C(=N)N)C(=N)N
InChI
InChI=1S/C9H16N6O/c1-2-3-4-6-5-7(14-16-6)15(8(10)11)9(12)13/h5H,2-4H2,1H3,(H3,10,11)(H3,12,13)
InChIKey
MRZCYVKSMCVQIS-UHFFFAOYSA-N
Compound name
1-(5-butyl-1,2-oxazol-3-yl)-1-carbamimidoylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13857 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14585 154.2
[M+Na]+ 247.12779 158.3
[M-H]- 223.13129 157.8
[M+NH4]+ 242.17239 169.8
[M+K]+ 263.10173 158.4
[M+H-H2O]+ 207.13583 145.2
[M+HCOO]- 269.13677 179.9
[M+CH3COO]- 283.15242 203.9
[M+Na-2H]- 245.11324 156.6
[M]+ 224.13802 150.2
[M]- 224.13912 150.2
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.