CID 749625

N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)acetamide

Structural Information

Molecular Formula
C15H18N4O5
SMILES
CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2)OC)OC)C)[N+](=O)[O-]
InChI
InChI=1S/C15H18N4O5/c1-9-15(19(21)22)10(2)18(17-9)8-14(20)16-12-6-5-11(23-3)7-13(12)24-4/h5-7H,8H2,1-4H3,(H,16,20)
InChIKey
BGJKKECFJVJHOQ-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

334.12772 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.134996 175.0
[M+Na]+ 357.116938 182.3
[M-H]- 333.120444 180.4
[M+NH4]+ 352.161543 187.0
[M+K]+ 373.090878 176.1
[M+H-H2O]+ 317.124980 170.7
[M+HCOO]- 379.125921 198.9
[M+CH3COO]- 393.141571 207.8
[M+Na-2H]- 355.102386 178.5
[M]+ 334.12717142 178.5
[M]- 334.12826858 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.