CID 1101540

353455-68-2

Structural Information

Molecular Formula
C14H15ClN4O5
SMILES
CC1=C(C(=NN1CC(=O)NC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H15ClN4O5/c1-8-13(15)14(19(21)22)17-18(8)7-12(20)16-9-4-5-10(23-2)11(6-9)24-3/h4-6H,7H2,1-3H3,(H,16,20)
InChIKey
MSZDLLJZDRQUHO-UHFFFAOYSA-N
Compound name
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

354.0731 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08038 178.0
[M+Na]+ 377.06232 185.9
[M-H]- 353.06582 183.0
[M+NH4]+ 372.10692 189.9
[M+K]+ 393.03626 178.5
[M+H-H2O]+ 337.07036 174.4
[M+HCOO]- 399.07130 197.4
[M+CH3COO]- 413.08695 208.4
[M+Na-2H]- 375.04777 181.2
[M]+ 354.07255 183.1
[M]- 354.07365 183.1
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.