CID 44144580

55902-05-1

Structural Information

Molecular Formula
C23H25N3O3
SMILES
CC(CC1=CC=CC=C1)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H25N3O3/c1-17(15-18-7-5-4-6-8-18)25(2)23(28)16-26-22(27)14-13-21(24-26)19-9-11-20(29-3)12-10-19/h4-14,17H,15-16H2,1-3H3
InChIKey
KQMDDEVWZHIMKJ-UHFFFAOYSA-N
Compound name
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 195.4
[M+Na]+ 414.17882 200.8
[M-H]- 390.18232 203.5
[M+NH4]+ 409.22342 203.5
[M+K]+ 430.15276 196.9
[M+H-H2O]+ 374.18686 183.3
[M+HCOO]- 436.18780 215.6
[M+CH3COO]- 450.20345 227.5
[M+Na-2H]- 412.16427 196.7
[M]+ 391.18905 198.9
[M]- 391.19015 198.9
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.