CID 386793

Nsc679501

Structural Information

Molecular Formula
C22H23N5O4
SMILES
CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=C(C=C3)C)C
InChI
InChI=1S/C22H23N5O4/c1-4-31-18-11-9-17(10-12-18)24-25-21-15(3)26-27(22(21)30)20(29)13-19(28)23-16-7-5-14(2)6-8-16/h5-12,21H,4,13H2,1-3H3,(H,23,28)
InChIKey
SPNIVWLVNYTIJT-UHFFFAOYSA-N
Compound name
3-[4-[(4-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.17502 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18230 200.6
[M+Na]+ 444.16424 206.4
[M-H]- 420.16774 210.9
[M+NH4]+ 439.20884 209.8
[M+K]+ 460.13818 203.3
[M+H-H2O]+ 404.17228 188.9
[M+HCOO]- 466.17322 225.7
[M+CH3COO]- 480.18887 238.5
[M+Na-2H]- 442.14969 200.5
[M]+ 421.17447 205.0
[M]- 421.17557 205.0
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.