CID 2497380

956504-56-6

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=O
InChI
InChI=1S/C16H13N3O/c20-12-15-11-19(10-13-5-2-1-3-6-13)18-16(15)14-7-4-8-17-9-14/h1-9,11-12H,10H2
InChIKey
WLALNLLKMJDSEF-UHFFFAOYSA-N
Compound name
1-benzyl-3-pyridin-3-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

263.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 160.9
[M+Na]+ 286.09509 177.0
[M+NH4]+ 281.13969 168.7
[M+K]+ 302.06903 170.3
[M-H]- 262.09859 165.6
[M+Na-2H]- 284.08054 171.9
[M]+ 263.10532 164.6
[M]- 263.10642 164.6
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.