CID 3074558

4-(3,5-dimethyl-1h-pyrazol-1-yl)pyrimido(5,4-c)cinnoline

Structural Information

Molecular Formula
C15H12N6
SMILES
CC1=CC(=NN1C2=NC=NC3=C2N=NC4=CC=CC=C43)C
InChI
InChI=1S/C15H12N6/c1-9-7-10(2)21(20-9)15-14-13(16-8-17-15)11-5-3-4-6-12(11)18-19-14/h3-8H,1-2H3
InChIKey
MEGGVDBHEUVHST-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpyrazol-1-yl)pyrimido[5,4-c]cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.11234 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11962 167.8
[M+Na]+ 299.10156 181.5
[M-H]- 275.10506 169.8
[M+NH4]+ 294.14616 179.7
[M+K]+ 315.07550 173.8
[M+H-H2O]+ 259.10960 156.2
[M+HCOO]- 321.11054 184.9
[M+CH3COO]- 335.12619 178.9
[M+Na-2H]- 297.08701 175.4
[M]+ 276.11179 171.2
[M]- 276.11289 171.2
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.