CID 476585

Ethyl 2-[(4-aza-3-methyl-1-phenylpyrazol-5-yl)amino]acetate

Structural Information

Molecular Formula
C14H16N5O2
SMILES
CCOC(=O)CNC1=C(C(=NN1C2=CC=CC=C2)C)[N+]#N
InChI
InChI=1S/C14H16N5O2/c1-3-21-12(20)9-16-14-13(17-15)10(2)18-19(14)11-7-5-4-6-8-11/h4-8,16H,3,9H2,1-2H3/q+1
InChIKey
AYQJZCLAKZMZKB-UHFFFAOYSA-N
Compound name
5-[(2-ethoxy-2-oxoethyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.1304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13768 166.8
[M+Na]+ 309.11962 175.3
[M-H]- 285.12312 170.8
[M+NH4]+ 304.16422 179.2
[M+K]+ 325.09356 167.3
[M+H-H2O]+ 269.12766 152.6
[M+HCOO]- 331.12860 187.4
[M+CH3COO]- 345.14425 211.0
[M+Na-2H]- 307.10507 171.9
[M]+ 286.12985 163.1
[M]- 286.13095 163.1
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.