CID 3088392

5-(p-acetylaminophenyl)-6-methyl-3(2h)-pyridazinone

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CC1=NNC(=O)C=C1C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C13H13N3O2/c1-8-12(7-13(18)16-15-8)10-3-5-11(6-4-10)14-9(2)17/h3-7H,1-2H3,(H,14,17)(H,16,18)
InChIKey
BIQIUSVXYMBFJK-UHFFFAOYSA-N
Compound name
N-[4-(3-methyl-6-oxo-1H-pyridazin-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 154.2
[M+Na]+ 266.08999 163.0
[M-H]- 242.09349 157.7
[M+NH4]+ 261.13459 168.1
[M+K]+ 282.06393 158.3
[M+H-H2O]+ 226.09803 145.6
[M+HCOO]- 288.09897 175.6
[M+CH3COO]- 302.11462 193.1
[M+Na-2H]- 264.07544 159.5
[M]+ 243.10022 153.3
[M]- 243.10132 153.3
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.