CID 216492

4(3h)-quinazolinone, 2-(1-methylethyl)-3-(4-pyridinyl)-

Structural Information

Molecular Formula
C16H15N3O
SMILES
CC(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=NC=C3
InChI
InChI=1S/C16H15N3O/c1-11(2)15-18-14-6-4-3-5-13(14)16(20)19(15)12-7-9-17-10-8-12/h3-11H,1-2H3
InChIKey
AVQUANDWSGLIIP-UHFFFAOYSA-N
Compound name
2-propan-2-yl-3-pyridin-4-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12152 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 162.0
[M+Na]+ 288.11074 171.8
[M-H]- 264.11424 165.8
[M+NH4]+ 283.15534 175.4
[M+K]+ 304.08468 166.2
[M+H-H2O]+ 248.11878 151.7
[M+HCOO]- 310.11972 180.6
[M+CH3COO]- 324.13537 173.4
[M+Na-2H]- 286.09619 168.7
[M]+ 265.12097 163.0
[M]- 265.12207 163.0
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

patents stripe