CID 977138

213748-09-5

Structural Information

Molecular Formula
C18H14N2O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=O)C4=CC=CC=C4
InChI
InChI=1S/C18H14N2O3/c21-12-14-11-20(15-4-2-1-3-5-15)19-18(14)13-6-7-16-17(10-13)23-9-8-22-16/h1-7,10-12H,8-9H2
InChIKey
HCMYNNSDZGWJRF-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

306.10043 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 169.7
[M+Na]+ 329.08965 186.0
[M+NH4]+ 324.13425 177.8
[M+K]+ 345.06359 180.3
[M-H]- 305.09315 177.8
[M+Na-2H]- 327.07510 177.9
[M]+ 306.09988 174.4
[M]- 306.10098 174.4
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.