CID 44144581

Brn 0902271

Structural Information

Molecular Formula
C24H27N3O4
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C24H27N3O4/c1-17(14-18-10-12-21(30-3)22(15-18)31-4)26(2)24(29)16-27-23(28)13-11-20(25-27)19-8-6-5-7-9-19/h5-13,15,17H,14,16H2,1-4H3
InChIKey
FIOJPKOJOOQNJK-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.20016 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.207436 202.7
[M+Na]+ 444.189378 208.3
[M-H]- 420.192884 211.0
[M+NH4]+ 439.233983 209.7
[M+K]+ 460.163318 205.1
[M+H-H2O]+ 404.197420 190.4
[M+HCOO]- 466.198361 222.7
[M+CH3COO]- 480.214011 233.8
[M+Na-2H]- 442.174826 202.9
[M]+ 421.19961142 208.4
[M]- 421.20070858 208.4
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.