CID 9594622

403659-19-8

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=NC=C3
InChI
InChI=1S/C20H21N5O2/c1-3-12-27-17-6-4-16(5-7-17)18-13-19(24-23-18)20(26)25-22-14(2)15-8-10-21-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,23,24)(H,25,26)/b22-14+
InChIKey
RBULXCQLHRWBBC-HYARGMPZSA-N
Compound name
3-(4-propoxyphenyl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.16953 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.176806 186.1
[M+Na]+ 386.158748 191.0
[M-H]- 362.162254 192.0
[M+NH4]+ 381.203353 194.9
[M+K]+ 402.132688 185.7
[M+H-H2O]+ 346.166790 174.4
[M+HCOO]- 408.167731 207.4
[M+CH3COO]- 422.183381 219.0
[M+Na-2H]- 384.144196 188.6
[M]+ 363.16898142 186.3
[M]- 363.17007858 186.3
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.