CID 3295448

618098-94-5

Structural Information

Molecular Formula
C19H16N2O3
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=C(C=C3)OCCO4)C=O
InChI
InChI=1S/C19H16N2O3/c1-13-2-5-16(6-3-13)21-11-15(12-22)19(20-21)14-4-7-17-18(10-14)24-9-8-23-17/h2-7,10-12H,8-9H2,1H3
InChIKey
JBMSOTZTYFETJZ-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12338 174.3
[M+Na]+ 343.10532 190.8
[M+NH4]+ 338.14992 182.3
[M+K]+ 359.07926 185.0
[M-H]- 319.10882 182.4
[M+Na-2H]- 341.09077 182.0
[M]+ 320.11555 179.1
[M]- 320.11665 179.1
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.