CID 3051759

3-pyrazolin-5-one, 2,3-dimethyl-4-(methyl(3,4,5-trimethoxybenzoyl)amino)-1-phenyl-

Structural Information

Molecular Formula
C22H25N3O5
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H25N3O5/c1-14-19(22(27)25(24(14)3)16-10-8-7-9-11-16)23(2)21(26)15-12-17(28-4)20(30-6)18(13-15)29-5/h7-13H,1-6H3
InChIKey
ISRFHKPFMHNXPQ-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1794 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.18668 196.8
[M+Na]+ 434.16862 205.9
[M-H]- 410.17212 207.0
[M+NH4]+ 429.21322 207.2
[M+K]+ 450.14256 203.7
[M+H-H2O]+ 394.17666 186.4
[M+HCOO]- 456.17760 219.5
[M+CH3COO]- 470.19325 232.9
[M+Na-2H]- 432.15407 194.5
[M]+ 411.17885 206.1
[M]- 411.17995 206.1
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.