CID 135572067

3-(3-ethoxyphenyl)-n'-(4-hydroxybenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C19H18N4O3/c1-2-26-16-5-3-4-14(10-16)17-11-18(22-21-17)19(25)23-20-12-13-6-8-15(24)9-7-13/h3-12,24H,2H2,1H3,(H,21,22)(H,23,25)/b20-12+
InChIKey
DWMTYZOKRHMIKP-UDWIEESQSA-N
Compound name
3-(3-ethoxyphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.145156 180.7
[M+Na]+ 373.127098 186.7
[M-H]- 349.130604 187.1
[M+NH4]+ 368.171703 191.0
[M+K]+ 389.101038 181.3
[M+H-H2O]+ 333.135140 170.3
[M+HCOO]- 395.136081 203.4
[M+CH3COO]- 409.151731 213.6
[M+Na-2H]- 371.112546 183.7
[M]+ 350.13733142 180.7
[M]- 350.13842858 180.7
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.