CID 9578658

Hydrazinecarboximidamide, 2-(2-(hexahydro-1-methyl-2,4,6-trioxo-5-(propenyl)-5-pyrimidinyl)-1-methylethylidene)-, hydrochloride

Structural Information

Molecular Formula
C12H18N6O3
SMILES
C/C(=N\N=C(N)N)/CC1(C(=O)NC(=O)N(C1=O)C)CC=C
InChI
InChI=1S/C12H18N6O3/c1-4-5-12(6-7(2)16-17-10(13)14)8(19)15-11(21)18(3)9(12)20/h4H,1,5-6H2,2-3H3,(H4,13,14,17)(H,15,19,21)/b16-7+
InChIKey
CKVLOCNGPVKZAH-FRKPEAEDSA-N
Compound name
2-[(E)-1-(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14404 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.151316 165.5
[M+Na]+ 317.133258 171.5
[M-H]- 293.136764 166.9
[M+NH4]+ 312.177863 179.3
[M+K]+ 333.107198 169.2
[M+H-H2O]+ 277.141300 158.4
[M+HCOO]- 339.142241 186.3
[M+CH3COO]- 353.157891 215.4
[M+Na-2H]- 315.118706 166.0
[M]+ 294.14349142 160.9
[M]- 294.14458858 160.9
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.