CID 4962851

3-(1-benzofuran-2-yl)-1-benzyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C19H14N2O2
SMILES
C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=O
InChI
InChI=1S/C19H14N2O2/c22-13-16-12-21(11-14-6-2-1-3-7-14)20-19(16)18-10-15-8-4-5-9-17(15)23-18/h1-10,12-13H,11H2
InChIKey
HBRRKHIEUQLAJW-UHFFFAOYSA-N
Compound name
3-(1-benzofuran-2-yl)-1-benzylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11281 168.4
[M+Na]+ 325.09475 179.4
[M-H]- 301.09825 178.5
[M+NH4]+ 320.13935 183.9
[M+K]+ 341.06869 174.6
[M+H-H2O]+ 285.10279 159.7
[M+HCOO]- 347.10373 192.2
[M+CH3COO]- 361.11938 181.5
[M+Na-2H]- 323.08020 172.3
[M]+ 302.10498 173.3
[M]- 302.10608 173.3
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.