CID 9816296

220246-81-1

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1
InChIKey
GDZXNMWZXLDEKG-MRVPVSSYSA-N
Compound name
N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

130
Patents

245.11642 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 156.4
[M+Na]+ 268.105638 163.2
[M-H]- 244.109144 159.2
[M+NH4]+ 263.150243 170.1
[M+K]+ 284.079578 159.1
[M+H-H2O]+ 228.113680 147.9
[M+HCOO]- 290.114621 175.0
[M+CH3COO]- 304.130271 193.7
[M+Na-2H]- 266.091086 159.8
[M]+ 245.11587142 152.7
[M]- 245.11696858 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

literature stripe

Patent stripe

patents stripe