CID 44144592

55902-26-6

Structural Information

Molecular Formula
C24H26N4O3
SMILES
CC(CC1=CC=CC=C1)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C24H26N4O3/c1-17(15-19-7-5-4-6-8-19)27(3)24(31)16-28-23(30)14-13-22(26-28)20-9-11-21(12-10-20)25-18(2)29/h4-14,17H,15-16H2,1-3H3,(H,25,29)
InChIKey
GHIHBNBPSBBGHB-UHFFFAOYSA-N
Compound name
2-[3-(4-acetamidophenyl)-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

418.2005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20778 200.5
[M+Na]+ 441.18972 213.1
[M+NH4]+ 436.23432 205.1
[M+K]+ 457.16366 207.0
[M-H]- 417.19322 205.6
[M+Na-2H]- 439.17517 209.2
[M]+ 418.19995 203.5
[M]- 418.20105 203.5
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.