CID 63375

1915-04-4

Structural Information

Molecular Formula
C19H20N2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C(C)CCC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O/c1-14(12-13-16-8-4-3-5-9-16)21-15(2)20-18-11-7-6-10-17(18)19(21)22/h3-11,14H,12-13H2,1-2H3
InChIKey
XUKFPUAKLPOFLK-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-phenylbutan-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 170.5
[M+Na]+ 315.14678 178.9
[M-H]- 291.15028 175.2
[M+NH4]+ 310.19138 184.2
[M+K]+ 331.12072 173.1
[M+H-H2O]+ 275.15482 160.5
[M+HCOO]- 337.15576 189.4
[M+CH3COO]- 351.17141 181.4
[M+Na-2H]- 313.13223 175.6
[M]+ 292.15701 172.1
[M]- 292.15811 172.1
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.