CID 135437787

302917-83-5

Structural Information

Molecular Formula
C20H20N4O4
SMILES
CCOC1=CC=CC(=C1O)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C20H20N4O4/c1-3-28-18-9-5-7-14(19(18)25)12-21-24-20(26)17-11-16(22-23-17)13-6-4-8-15(10-13)27-2/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26)/b21-12+
InChIKey
NZEKTGWHLYDUCB-CIAFOILYSA-N
Compound name
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14847 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15575 191.4
[M+Na]+ 403.13769 202.7
[M+NH4]+ 398.18229 195.8
[M+K]+ 419.11163 198.8
[M-H]- 379.14119 195.1
[M+Na-2H]- 401.12314 198.3
[M]+ 380.14792 193.6
[M]- 380.14902 193.6
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.