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 189.9
[M+Na]+ 401.15842 194.6
[M-H]- 377.16192 196.0
[M+NH4]+ 396.20302 198.9
[M+K]+ 417.13236 189.4
[M+H-H2O]+ 361.16646 179.2
[M+HCOO]- 423.16740 210.9
[M+CH3COO]- 437.18305 220.4
[M+Na-2H]- 399.14387 190.7
[M]+ 378.16865 190.0
[M]- 378.16975 190.0
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.