CID 136907772

303106-43-6

Structural Information

Molecular Formula
C21H22N4O3
SMILES
CC/C(=N/NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)OCC)/C3=CC=C(C=C3)O
InChI
InChI=1S/C21H22N4O3/c1-3-18(14-8-10-16(26)11-9-14)22-25-21(27)20-13-19(23-24-20)15-6-5-7-17(12-15)28-4-2/h5-13,26H,3-4H2,1-2H3,(H,23,24)(H,25,27)/b22-18-
InChIKey
ZLUNYKOZIYODPF-PYCFMQQDSA-N
Compound name
3-(3-ethoxyphenyl)-N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1692 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17648 192.1
[M+Na]+ 401.15842 202.9
[M+NH4]+ 396.20302 196.8
[M+K]+ 417.13236 198.9
[M-H]- 377.16192 196.0
[M+Na-2H]- 399.14387 199.2
[M]+ 378.16865 194.3
[M]- 378.16975 194.3
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.