CID 137045944

2369053-68-7

Structural Information

Molecular Formula
C14H17N5O
SMILES
C1CN(CCN1)C2=CC(=NN=C2N)C3=CC=CC=C3O
InChI
InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)
InChIKey
SZKHGLTYXIDOFH-UHFFFAOYSA-N
Compound name
2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

271.1433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15058 165.7
[M+Na]+ 294.13252 171.7
[M-H]- 270.13602 166.6
[M+NH4]+ 289.17712 174.0
[M+K]+ 310.10646 164.8
[M+H-H2O]+ 254.14056 154.6
[M+HCOO]- 316.14150 179.2
[M+CH3COO]- 330.15715 173.8
[M+Na-2H]- 292.11797 169.8
[M]+ 271.14275 157.2
[M]- 271.14385 157.2
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