CID 122345

108381-22-2

Structural Information

Molecular Formula
C18H16N4O2
SMILES
CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)O
InChI
InChI=1S/C18H16N4O2/c1-10-8-16(24)21-22-17(10)12-4-7-14-15(9-12)20-18(19-14)11-2-5-13(23)6-3-11/h2-7,9-10,23H,8H2,1H3,(H,19,20)(H,21,24)
InChIKey
QOAXSEARPHDXFC-UHFFFAOYSA-N
Compound name
3-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

193
Patents

320.12732 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 176.9
[M+Na]+ 343.11654 186.6
[M-H]- 319.12004 179.5
[M+NH4]+ 338.16114 186.4
[M+K]+ 359.09048 177.9
[M+H-H2O]+ 303.12458 166.7
[M+HCOO]- 365.12552 190.8
[M+CH3COO]- 379.14117 185.9
[M+Na-2H]- 341.10199 179.2
[M]+ 320.12677 173.6
[M]- 320.12787 173.6
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.