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]+ 364.17681 186.1
[M+Na]+ 386.15875 191.0
[M-H]- 362.16225 192.0
[M+NH4]+ 381.20335 194.9
[M+K]+ 402.13269 185.7
[M+H-H2O]+ 346.16679 174.4
[M+HCOO]- 408.16773 207.4
[M+CH3COO]- 422.18338 219.0
[M+Na-2H]- 384.14420 188.6
[M]+ 363.16898 186.3
[M]- 363.17008 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.