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 192.9
[M+Na]+ 417.15332 198.2
[M-H]- 393.15682 199.5
[M+NH4]+ 412.19792 201.5
[M+K]+ 433.12726 193.9
[M+H-H2O]+ 377.16136 182.4
[M+HCOO]- 439.16230 214.1
[M+CH3COO]- 453.17795 223.9
[M+Na-2H]- 415.13877 193.2
[M]+ 394.16355 194.8
[M]- 394.16465 194.8
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.