CID 749625

N-(2,4-dimethoxy-phenyl)-2-(3,5-dimethyl-4-nitro-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]+ 335.13500 175.0
[M+Na]+ 357.11694 182.3
[M-H]- 333.12044 180.4
[M+NH4]+ 352.16154 187.0
[M+K]+ 373.09088 176.1
[M+H-H2O]+ 317.12498 170.7
[M+HCOO]- 379.12592 198.9
[M+CH3COO]- 393.14157 207.8
[M+Na-2H]- 355.10239 178.5
[M]+ 334.12717 178.5
[M]- 334.12827 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.