CID 135607194

303104-14-5

Structural Information

Molecular Formula
C21H22N4O4
SMILES
CCOC1=CC=CC(=C1O)/C=N/NC(=O)C2=C(C(=NN2)C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C21H22N4O4/c1-4-29-17-7-5-6-15(20(17)26)12-22-25-21(27)19-13(2)18(23-24-19)14-8-10-16(28-3)11-9-14/h5-12,26H,4H2,1-3H3,(H,23,24)(H,25,27)/b22-12+
InChIKey
LQILHZSZDZVVEO-WSDLNYQXSA-N
Compound name
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1641 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.171376 193.5
[M+Na]+ 417.153318 200.1
[M-H]- 393.156824 200.3
[M+NH4]+ 412.197923 202.5
[M+K]+ 433.127258 195.1
[M+H-H2O]+ 377.161360 182.9
[M+HCOO]- 439.162301 215.6
[M+CH3COO]- 453.177951 224.3
[M+Na-2H]- 415.138766 194.0
[M]+ 394.16355142 196.4
[M]- 394.16464858 196.4
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.