CID 44144584

55902-09-5

Structural Information

Molecular Formula
C23H25N3O2
SMILES
CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N(C)C(C)CC3=CC=CC=C3
InChI
InChI=1S/C23H25N3O2/c1-17-9-11-20(12-10-17)21-13-14-22(27)26(24-21)16-23(28)25(3)18(2)15-19-7-5-4-6-8-19/h4-14,18H,15-16H2,1-3H3
InChIKey
UDVJUOFECBCEFS-UHFFFAOYSA-N
Compound name
N-methyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19467 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 192.4
[M+Na]+ 398.18389 198.1
[M-H]- 374.18739 200.5
[M+NH4]+ 393.22849 201.3
[M+K]+ 414.15783 193.4
[M+H-H2O]+ 358.19193 180.6
[M+HCOO]- 420.19287 212.4
[M+CH3COO]- 434.20852 225.4
[M+Na-2H]- 396.16934 193.6
[M]+ 375.19412 194.6
[M]- 375.19522 194.6
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.