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 172.0
[M+Na]+ 315.14678 181.3
[M-H]- 291.15028 177.1
[M+NH4]+ 310.19138 186.0
[M+K]+ 331.12072 175.4
[M+H-H2O]+ 275.15482 162.5
[M+HCOO]- 337.15576 190.3
[M+CH3COO]- 351.17141 204.5
[M+Na-2H]- 313.13223 178.9
[M]+ 292.15701 173.6
[M]- 292.15811 173.6
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.