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 202.2
[M+Na]+ 441.18972 206.3
[M-H]- 417.19322 210.2
[M+NH4]+ 436.23432 208.7
[M+K]+ 457.16366 202.4
[M+H-H2O]+ 401.19776 190.0
[M+HCOO]- 463.19870 222.3
[M+CH3COO]- 477.21435 235.2
[M+Na-2H]- 439.17517 202.6
[M]+ 418.19995 204.1
[M]- 418.20105 204.1
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.