CID 44144587

55902-13-1

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N(C)C(C)C3=CC=CC=C3
InChI
InChI=1S/C22H23N3O2/c1-16-9-11-19(12-10-16)20-13-14-21(26)25(23-20)15-22(27)24(3)17(2)18-7-5-4-6-8-18/h4-14,17H,15H2,1-3H3
InChIKey
MUGCOYMSELXPKL-UHFFFAOYSA-N
Compound name
N-methyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.186296 187.9
[M+Na]+ 384.168238 194.0
[M-H]- 360.171744 196.2
[M+NH4]+ 379.212843 197.4
[M+K]+ 400.142178 189.6
[M+H-H2O]+ 344.176280 176.3
[M+HCOO]- 406.177221 208.3
[M+CH3COO]- 420.192871 222.5
[M+Na-2H]- 382.153686 189.7
[M]+ 361.17847142 189.8
[M]- 361.17956858 189.8
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.