CID 6459139

439135-85-0

Structural Information

Molecular Formula
C19H20N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H20N2O/c1-19(2,3)15-10-8-14(9-11-15)12-21-13-20-17-7-5-4-6-16(17)18(21)22/h4-11,13H,12H2,1-3H3
InChIKey
VPTPTTWEFICMCZ-UHFFFAOYSA-N
Compound name
3-[(4-tert-butylphenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 170.6
[M+Na]+ 315.14678 187.5
[M+NH4]+ 310.19138 179.1
[M+K]+ 331.12072 178.7
[M-H]- 291.15028 175.0
[M+Na-2H]- 313.13223 180.3
[M]+ 292.15701 174.6
[M]- 292.15811 174.6
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.