CID 3045531

Imidodicarbonimidic diamide, n-(5-(1-methylethyl)-3-isoxazolyl)-

Structural Information

Molecular Formula
C8H14N6O
SMILES
CC(C)C1=CC(=NO1)N(C(=N)N)C(=N)N
InChI
InChI=1S/C8H14N6O/c1-4(2)5-3-6(13-15-5)14(7(9)10)8(11)12/h3-4H,1-2H3,(H3,9,10)(H3,11,12)
InChIKey
NHEHYHYPXAYTPM-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-(5-propan-2-yl-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

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13019 151.2
[M+Na]+ 233.11213 155.5
[M-H]- 209.11563 155.2
[M+NH4]+ 228.15673 167.3
[M+K]+ 249.08607 156.5
[M+H-H2O]+ 193.12017 142.5
[M+HCOO]- 255.12111 176.3
[M+CH3COO]- 269.13676 201.9
[M+Na-2H]- 231.09758 152.8
[M]+ 210.12236 146.2
[M]- 210.12346 146.2
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.