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
2
Annotation Hits

66
References

2053
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 154.9
[M+Na]+ 263.09032 169.0
[M+NH4]+ 258.13492 161.9
[M+K]+ 279.06426 164.0
[M-H]- 239.09382 157.9
[M+Na-2H]- 261.07577 163.8
[M]+ 240.10055 157.6
[M]- 240.10165 157.6
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