CID 135642309

305355-67-3

Structural Information

Molecular Formula
C19H18N4O4
SMILES
COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C19H18N4O4/c1-26-14-6-4-13(5-7-14)15-10-16(22-21-15)19(25)23-20-11-12-3-8-17(24)18(9-12)27-2/h3-11,24H,1-2H3,(H,21,22)(H,23,25)/b20-11+
InChIKey
ROBGEWOTHXNHLL-RGVLZGJSSA-N
Compound name
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.140076 183.9
[M+Na]+ 389.122018 190.5
[M-H]- 365.125524 190.7
[M+NH4]+ 384.166623 193.7
[M+K]+ 405.095958 185.9
[M+H-H2O]+ 349.130060 173.5
[M+HCOO]- 411.131001 206.8
[M+CH3COO]- 425.146651 217.2
[M+Na-2H]- 387.107466 186.2
[M]+ 366.13225142 185.7
[M]- 366.13334858 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.