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 193.5
[M+Na]+ 417.15332 200.1
[M-H]- 393.15682 200.3
[M+NH4]+ 412.19792 202.5
[M+K]+ 433.12726 195.1
[M+H-H2O]+ 377.16136 182.9
[M+HCOO]- 439.16230 215.6
[M+CH3COO]- 453.17795 224.3
[M+Na-2H]- 415.13877 194.0
[M]+ 394.16355 196.4
[M]- 394.16465 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.