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 169.6
[M+Na]+ 313.11722 188.3
[M+NH4]+ 308.16182 177.0
[M+K]+ 329.09116 181.7
[M-H]- 289.12072 172.5
[M+Na-2H]- 311.10267 178.2
[M]+ 290.12745 173.3
[M]- 290.12855 173.3
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.