CID 3088391

117903-08-9

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC1=NNC(=O)CC1C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C13H15N3O2/c1-8-12(7-13(18)16-15-8)10-3-5-11(6-4-10)14-9(2)17/h3-6,12H,7H2,1-2H3,(H,14,17)(H,16,18)
InChIKey
WTVKXLVDCXVJMF-UHFFFAOYSA-N
Compound name
N-[4-(3-methyl-6-oxo-4,5-dihydro-1H-pyridazin-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 156.4
[M+Na]+ 268.10564 163.2
[M-H]- 244.10914 159.2
[M+NH4]+ 263.15024 170.1
[M+K]+ 284.07958 159.1
[M+H-H2O]+ 228.11368 147.9
[M+HCOO]- 290.11462 175.0
[M+CH3COO]- 304.13027 193.7
[M+Na-2H]- 266.09109 159.8
[M]+ 245.11587 152.7
[M]- 245.11697 152.7
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.