CID 44144581

55902-06-2

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]+ 422.20744 202.7
[M+Na]+ 444.18938 208.3
[M-H]- 420.19288 211.0
[M+NH4]+ 439.23398 209.7
[M+K]+ 460.16332 205.1
[M+H-H2O]+ 404.19742 190.4
[M+HCOO]- 466.19836 222.7
[M+CH3COO]- 480.21401 233.8
[M+Na-2H]- 442.17483 202.9
[M]+ 421.19961 208.4
[M]- 421.20071 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.