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]+ 303.112806 168.4
[M+Na]+ 325.094748 179.4
[M-H]- 301.098254 178.5
[M+NH4]+ 320.139353 183.9
[M+K]+ 341.068688 174.6
[M+H-H2O]+ 285.102790 159.7
[M+HCOO]- 347.103731 192.2
[M+CH3COO]- 361.119381 181.5
[M+Na-2H]- 323.080196 172.3
[M]+ 302.10498142 173.3
[M]- 302.10607858 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.