CID 5392669

402604-38-0

Structural Information

Molecular Formula
C19H19N5O
SMILES
CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=NC=C3
InChI
InChI=1S/C19H19N5O/c1-3-14-4-6-16(7-5-14)17-12-18(23-22-17)19(25)24-21-13(2)15-8-10-20-11-9-15/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)/b21-13+
InChIKey
VJNLPAIHFJQFMJ-FYJGNVAPSA-N
Compound name
3-(4-ethylphenyl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15897 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 179.3
[M+Na]+ 356.14819 184.9
[M-H]- 332.15169 185.4
[M+NH4]+ 351.19279 189.5
[M+K]+ 372.12213 179.2
[M+H-H2O]+ 316.15623 168.0
[M+HCOO]- 378.15717 200.8
[M+CH3COO]- 392.17282 213.9
[M+Na-2H]- 354.13364 182.2
[M]+ 333.15842 177.9
[M]- 333.15952 177.9
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.