CID 135547232

303108-10-3

Structural Information

Molecular Formula
C20H20N4O3
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)O
InChI
InChI=1S/C20H20N4O3/c1-3-27-19-7-5-4-6-16(19)17-12-18(23-22-17)20(26)24-21-13(2)14-8-10-15(25)11-9-14/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26)/b21-13+
InChIKey
XHUAHBUGXKFJHL-FYJGNVAPSA-N
Compound name
3-(2-ethoxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15353 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.160806 185.5
[M+Na]+ 387.142748 190.7
[M-H]- 363.146254 191.9
[M+NH4]+ 382.187353 195.2
[M+K]+ 403.116688 185.7
[M+H-H2O]+ 347.150790 175.1
[M+HCOO]- 409.151731 206.9
[M+CH3COO]- 423.167381 217.5
[M+Na-2H]- 385.128196 186.9
[M]+ 364.15298142 185.3
[M]- 364.15407858 185.3
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.