CID 135554363

303106-54-9

Structural Information

Molecular Formula
C21H22N4O4
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C21H22N4O4/c1-4-29-16-7-5-6-15(10-16)17-12-18(24-23-17)21(27)25-22-13(2)14-8-9-19(26)20(11-14)28-3/h5-12,26H,4H2,1-3H3,(H,23,24)(H,25,27)/b22-13+
InChIKey
PEBDQNRWKQAOHD-LPYMAVHISA-N
Compound name
3-(3-ethoxyphenyl)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1641 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17138 195.2
[M+Na]+ 417.15332 205.9
[M+NH4]+ 412.19792 199.3
[M+K]+ 433.12726 202.6
[M-H]- 393.15682 198.7
[M+Na-2H]- 415.13877 201.6
[M]+ 394.16355 197.3
[M]- 394.16465 197.3
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.