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

21
Patents

252.11235 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11963 168.1
[M+Na]+ 275.10157 180.5
[M-H]- 251.10507 173.1
[M+NH4]+ 270.14617 176.1
[M+K]+ 291.07551 172.6
[M+H-H2O]+ 235.10961 157.3
[M+HCOO]- 297.11055 189.6
[M+CH3COO]- 311.12620 178.7
[M+Na-2H]- 273.08702 175.6
[M]+ 252.11180 170.7
[M]- 252.11290 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