CID 5356676

3438-68-4

Structural Information

Molecular Formula
C9H14N6O2
SMILES
C1=NC2=C(N1)C(=NN=C2NCCO)NCCO
InChI
InChI=1S/C9H14N6O2/c16-3-1-10-8-6-7(13-5-12-6)9(15-14-8)11-2-4-17/h5,16-17H,1-4H2,(H,10,14)(H,11,15)(H,12,13)
InChIKey
VMNMHBHRMRZGTD-UHFFFAOYSA-N
Compound name
2-[[4-(2-hydroxyethylamino)-1H-imidazo[4,5-d]pyridazin-7-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11783 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12511 148.9
[M+Na]+ 261.10705 157.3
[M-H]- 237.11055 145.1
[M+NH4]+ 256.15165 161.6
[M+K]+ 277.08099 152.4
[M+H-H2O]+ 221.11509 140.3
[M+HCOO]- 283.11603 168.3
[M+CH3COO]- 297.13168 189.1
[M+Na-2H]- 259.09250 157.2
[M]+ 238.11728 148.6
[M]- 238.11838 148.6
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.