CID 5469586

Nsc690570

Structural Information

Molecular Formula
C6H7N5
SMILES
CNC1=C2C(=CN=N1)NC=N2
InChI
InChI=1S/C6H7N5/c1-7-6-5-4(2-10-11-6)8-3-9-5/h2-3H,1H3,(H,7,11)(H,8,9)
InChIKey
BNGFPYLLQCQZQF-UHFFFAOYSA-N
Compound name
N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.07014 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07742 127.4
[M+Na]+ 172.05936 138.4
[M-H]- 148.06286 126.2
[M+NH4]+ 167.10396 145.4
[M+K]+ 188.03330 134.8
[M+H-H2O]+ 132.06740 119.2
[M+HCOO]- 194.06834 149.3
[M+CH3COO]- 208.08399 140.7
[M+Na-2H]- 170.04481 138.0
[M]+ 149.06959 127.2
[M]- 149.07069 127.2
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.