CID 9671633

303106-04-9

Structural Information

Molecular Formula
C21H22N4O3
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H22N4O3/c1-4-28-18-7-5-6-16(12-18)19-13-20(24-23-19)21(26)25-22-14(2)15-8-10-17(27-3)11-9-15/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)/b22-14+
InChIKey
LAQXRXXYSJFOJB-HYARGMPZSA-N
Compound name
3-(3-ethoxyphenyl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1692 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17648 190.1
[M+Na]+ 401.15842 195.3
[M-H]- 377.16192 197.6
[M+NH4]+ 396.20302 199.9
[M+K]+ 417.13236 190.8
[M+H-H2O]+ 361.16646 179.1
[M+HCOO]- 423.16740 212.6
[M+CH3COO]- 437.18305 222.6
[M+Na-2H]- 399.14387 191.3
[M]+ 378.16865 192.0
[M]- 378.16975 192.0
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.