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]+ 321.159746 176.8
[M+Na]+ 343.141688 184.6
[M-H]- 319.145194 181.5
[M+NH4]+ 338.186293 189.0
[M+K]+ 359.115628 179.1
[M+H-H2O]+ 303.149730 166.6
[M+HCOO]- 365.150671 194.7
[M+CH3COO]- 379.166321 210.7
[M+Na-2H]- 341.127136 180.3
[M]+ 320.15192142 178.8
[M]- 320.15301858 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.