CID 44144588

Brn 0848621

Structural Information

Molecular Formula
C22H23N3O3
SMILES
CC(C1=CC=CC=C1)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H23N3O3/c1-16(17-7-5-4-6-8-17)24(2)22(27)15-25-21(26)14-13-20(23-25)18-9-11-19(28-3)12-10-18/h4-14,16H,15H2,1-3H3
InChIKey
IOQIGOYWENIEPD-UHFFFAOYSA-N
Compound name
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.17395 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 190.9
[M+Na]+ 400.16317 196.8
[M-H]- 376.16667 199.2
[M+NH4]+ 395.20777 199.6
[M+K]+ 416.13711 193.1
[M+H-H2O]+ 360.17121 179.0
[M+HCOO]- 422.17215 211.4
[M+CH3COO]- 436.18780 224.6
[M+Na-2H]- 398.14862 192.7
[M]+ 377.17340 194.1
[M]- 377.17450 194.1
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.