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]+ 395.17138 196.2
[M+Na]+ 417.15332 207.6
[M+NH4]+ 412.19792 200.4
[M+K]+ 433.12726 203.6
[M-H]- 393.15682 199.9
[M+Na-2H]- 415.13877 202.6
[M]+ 394.16355 198.5
[M]- 394.16465 198.5
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.