CID 3074559

159418-07-2

Structural Information

Molecular Formula
C16H14N6
SMILES
CC1=C2C(=CC=C1)C3=C(C(=NC=N3)N4C(=CC(=N4)C)C)N=N2
InChI
InChI=1S/C16H14N6/c1-9-5-4-6-12-13(9)19-20-15-14(12)17-8-18-16(15)22-11(3)7-10(2)21-22/h4-8H,1-3H3
InChIKey
QWRQRVPFUCDQCF-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpyrazol-1-yl)-7-methylpyrimido[5,4-c]cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.128 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13528 173.6
[M+Na]+ 313.11722 187.7
[M-H]- 289.12072 175.8
[M+NH4]+ 308.16182 185.3
[M+K]+ 329.09116 179.7
[M+H-H2O]+ 273.12526 162.1
[M+HCOO]- 335.12620 190.3
[M+CH3COO]- 349.14185 184.6
[M+Na-2H]- 311.10267 179.8
[M]+ 290.12745 177.7
[M]- 290.12855 177.7
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.