CID 63326

Brn 5349883

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CC(C)CC1=CC=C(C=C1)C(=O)CCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C21H22N2O2/c1-15(2)13-16-7-9-17(10-8-16)20(24)11-12-23-14-22-19-6-4-3-5-18(19)21(23)25/h3-10,14-15H,11-13H2,1-2H3
InChIKey
QJYWKCJKOQRBQR-UHFFFAOYSA-N
Compound name
3-[3-[4-(2-methylpropyl)phenyl]-3-oxopropyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 180.5
[M+Na]+ 357.15734 196.1
[M+NH4]+ 352.20194 187.7
[M+K]+ 373.13128 187.7
[M-H]- 333.16084 184.3
[M+Na-2H]- 355.14279 188.5
[M]+ 334.16757 183.9
[M]- 334.16867 183.9
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.