CID 2741877

Ns00018500

Structural Information

Molecular Formula
C17H15N5O2
SMILES
COC1=CC=C(C=C1)C2=C(C=NN2)C=NNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H15N5O2/c1-24-15-6-4-12(5-7-15)16-14(10-19-21-16)11-20-22-17(23)13-3-2-8-18-9-13/h2-11H,1H3,(H,19,21)(H,22,23)
InChIKey
JJRHMSDWMBJDRF-UHFFFAOYSA-N
Compound name
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.1226 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.129876 172.7
[M+Na]+ 344.111818 179.3
[M-H]- 320.115324 179.0
[M+NH4]+ 339.156423 183.3
[M+K]+ 360.085758 174.1
[M+H-H2O]+ 304.119860 161.4
[M+HCOO]- 366.120801 196.1
[M+CH3COO]- 380.136451 182.9
[M+Na-2H]- 342.097266 177.8
[M]+ 321.12205142 172.5
[M]- 321.12314858 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.