CID 40176788

1173625-38-1

Structural Information

Molecular Formula
C13H13N3O3
SMILES
CCOC(=O)C1=NN(C=C1/C=N\O)C2=CC=CC=C2
InChI
InChI=1S/C13H13N3O3/c1-2-19-13(17)12-10(8-14-18)9-16(15-12)11-6-4-3-5-7-11/h3-9,18H,2H2,1H3/b14-8-
InChIKey
DRGVSDRFDDWPSJ-ZSOIEALJSA-N
Compound name
ethyl 4-[(Z)-hydroxyiminomethyl]-1-phenylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 158.5
[M+Na]+ 282.08492 169.8
[M+NH4]+ 277.12952 164.3
[M+K]+ 298.05886 166.3
[M-H]- 258.08842 160.0
[M+Na-2H]- 280.07037 164.9
[M]+ 259.09515 160.2
[M]- 259.09625 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.