CID 3045552

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

Structural Information

Molecular Formula
C7H12N6O
SMILES
CC1=C(C(=NO1)C)N(C(=N)N)C(=N)N
InChI
InChI=1S/C7H12N6O/c1-3-5(4(2)14-12-3)13(6(8)9)7(10)11/h1-2H3,(H3,8,9)(H3,10,11)
InChIKey
OOAUAEKRCQXSDT-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10725 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11453 146.3
[M+Na]+ 219.09647 152.2
[M-H]- 195.09997 150.7
[M+NH4]+ 214.14107 163.4
[M+K]+ 235.07041 152.8
[M+H-H2O]+ 179.10451 138.0
[M+HCOO]- 241.10545 172.7
[M+CH3COO]- 255.12110 199.1
[M+Na-2H]- 217.08192 148.8
[M]+ 196.10670 141.9
[M]- 196.10780 141.9
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.