CID 55918

Imazodan

Structural Information

Molecular Formula
C13H12N4O
SMILES
C1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C13H12N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-4,7-9H,5-6H2,(H,16,18)
InChIKey
VXMYWVMXSWJFCV-UHFFFAOYSA-N
Compound name
3-(4-imidazol-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

66
References

2049
Patents

240.1011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 154.3
[M+Na]+ 263.09032 162.2
[M-H]- 239.09382 157.4
[M+NH4]+ 258.13492 166.8
[M+K]+ 279.06426 156.6
[M+H-H2O]+ 223.09836 143.6
[M+HCOO]- 285.09930 171.7
[M+CH3COO]- 299.11495 164.9
[M+Na-2H]- 261.07577 158.3
[M]+ 240.10055 150.0
[M]- 240.10165 150.0
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.