CID 6918710

N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

Structural Information

Molecular Formula
C13H12N6
SMILES
C1CC1NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3
InChI
InChI=1S/C13H12N6/c1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h1-2,5-9H,3-4H2,(H,14,17,18)
InChIKey
CAGHIASAHLPQMS-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

252.11235 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.119626 168.1
[M+Na]+ 275.101568 180.5
[M-H]- 251.105074 173.1
[M+NH4]+ 270.146173 176.1
[M+K]+ 291.075508 172.6
[M+H-H2O]+ 235.109610 157.3
[M+HCOO]- 297.110551 189.6
[M+CH3COO]- 311.126201 178.7
[M+Na-2H]- 273.087016 175.6
[M]+ 252.11180142 170.7
[M]- 252.11289858 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe