CID 6091945

Chembl1742945

Structural Information

Molecular Formula
C12H18N8
SMILES
CC1=NN(C=C1/C(=N\NC2=NCCN2)/C)C3=NCCN3
InChI
InChI=1S/C12H18N8/c1-8(17-18-11-13-3-4-14-11)10-7-20(19-9(10)2)12-15-5-6-16-12/h7H,3-6H2,1-2H3,(H,15,16)(H2,13,14,18)/b17-8-
InChIKey
LSORHLXYJIRUAX-IUXPMGMMSA-N
Compound name
N-[(Z)-1-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-methylpyrazol-4-yl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.16544 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17272 162.0
[M+Na]+ 297.15466 168.0
[M-H]- 273.15816 164.4
[M+NH4]+ 292.19926 173.9
[M+K]+ 313.12860 164.5
[M+H-H2O]+ 257.16270 150.6
[M+HCOO]- 319.16364 180.0
[M+CH3COO]- 333.17929 171.3
[M+Na-2H]- 295.14011 161.3
[M]+ 274.16489 157.3
[M]- 274.16599 157.3
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.