CID 5399767

634883-08-2

Structural Information

Molecular Formula
C19H19N5O2
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=NC=C3
InChI
InChI=1S/C19H19N5O2/c1-3-26-16-6-4-15(5-7-16)17-12-18(23-22-17)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
VGJHMKKPIIMCMA-FYJGNVAPSA-N
Compound name
3-(4-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 181.8
[M+Na]+ 372.14309 187.1
[M-H]- 348.14659 187.9
[M+NH4]+ 367.18769 191.2
[M+K]+ 388.11703 182.1
[M+H-H2O]+ 332.15113 170.3
[M+HCOO]- 394.15207 203.5
[M+CH3COO]- 408.16772 216.1
[M+Na-2H]- 370.12854 184.8
[M]+ 349.15332 181.7
[M]- 349.15442 181.7
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.