CID 3022101

Sr 41673

Structural Information

Molecular Formula
C15H16N4O3
SMILES
C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C15H16N4O3/c20-11-7-9-18(10-8-11)15-6-5-13(16-17-15)12-3-1-2-4-14(12)19(21)22/h1-6,11,20H,7-10H2
InChIKey
MCNXPIUSIOFZAX-UHFFFAOYSA-N
Compound name
1-[6-(2-nitrophenyl)pyridazin-3-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

300.12225 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 166.8
[M+Na]+ 323.11147 181.5
[M+NH4]+ 318.15607 173.5
[M+K]+ 339.08541 177.5
[M-H]- 299.11497 172.2
[M+Na-2H]- 321.09692 175.4
[M]+ 300.12170 170.2
[M]- 300.12280 170.2
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