CID 63679

Brn 5349514

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC(C)C1=CC=C(C=C1)C(CN2C=NC3=CC=CC=C3C2=O)C=O
InChI
InChI=1S/C20H20N2O2/c1-14(2)15-7-9-16(10-8-15)17(12-23)11-22-13-21-19-6-4-3-5-18(19)20(22)24/h3-10,12-14,17H,11H2,1-2H3
InChIKey
AQDHYJRBPTYOGW-UHFFFAOYSA-N
Compound name
3-(4-oxoquinazolin-3-yl)-2-(4-propan-2-ylphenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 176.8
[M+Na]+ 343.14169 184.6
[M-H]- 319.14519 181.5
[M+NH4]+ 338.18629 189.0
[M+K]+ 359.11563 179.1
[M+H-H2O]+ 303.14973 166.6
[M+HCOO]- 365.15067 194.7
[M+CH3COO]- 379.16632 210.7
[M+Na-2H]- 341.12714 180.3
[M]+ 320.15192 178.8
[M]- 320.15302 178.8
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.