CID 135459418

2-(2-phenylethyl)-4-quinazolinol

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C16H14N2O/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18,19)
InChIKey
AUEZMLBIHNUTTI-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

250.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 156.6
[M+Na]+ 273.09983 165.5
[M-H]- 249.10333 160.1
[M+NH4]+ 268.14443 171.1
[M+K]+ 289.07377 158.8
[M+H-H2O]+ 233.10787 147.3
[M+HCOO]- 295.10881 176.2
[M+CH3COO]- 309.12446 168.0
[M+Na-2H]- 271.08528 164.9
[M]+ 250.11006 155.6
[M]- 250.11116 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe