CID 1424289

2-(4-bromo-5-methyl-3-nitro-1h-pyrazol-1-yl)-n-(4-methylpyridin-2-yl)acetamide

Structural Information

Molecular Formula
C12H12BrN5O3
SMILES
CC1=CC(=NC=C1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C
InChI
InChI=1S/C12H12BrN5O3/c1-7-3-4-14-9(5-7)15-10(19)6-17-8(2)11(13)12(16-17)18(20)21/h3-5H,6H2,1-2H3,(H,14,15,19)
InChIKey
DNFWIMBHXOXSEE-UHFFFAOYSA-N
Compound name
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(4-methylpyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

353.01236 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.01964 168.3
[M+Na]+ 376.00158 179.0
[M-H]- 352.00508 174.9
[M+NH4]+ 371.04618 182.1
[M+K]+ 391.97552 163.6
[M+H-H2O]+ 336.00962 169.1
[M+HCOO]- 398.01056 189.1
[M+CH3COO]- 412.02621 205.0
[M+Na-2H]- 373.98703 174.6
[M]+ 353.01181 187.2
[M]- 353.01291 187.2
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.