CID 5403008

303107-85-9

Structural Information

Molecular Formula
C19H19N5O2
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=NC=C3
InChI
InChI=1S/C19H19N5O2/c1-3-26-18-7-5-4-6-15(18)16-12-17(23-22-16)19(25)24-21-13(2)14-8-10-20-11-9-14/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)/b21-13+
InChIKey
LGRDDGUQLIWXON-FYJGNVAPSA-N
Compound name
3-(2-ethoxyphenyl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.15387 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16115 182.8
[M+Na]+ 372.14309 194.4
[M+NH4]+ 367.18769 187.9
[M+K]+ 388.11703 190.2
[M-H]- 348.14659 186.8
[M+Na-2H]- 370.12854 191.3
[M]+ 349.15332 185.2
[M]- 349.15442 185.2
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.