CID 292556

83800-95-7

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC1=CC(=C(C=C1)C)C2NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C16H16N2O/c1-10-7-8-11(2)13(9-10)15-17-14-6-4-3-5-12(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)
InChIKey
YJPGBNWVIDVAHH-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 159.8
[M+Na]+ 275.11549 168.1
[M-H]- 251.11899 162.1
[M+NH4]+ 270.16009 174.1
[M+K]+ 291.08943 161.2
[M+H-H2O]+ 235.12353 151.3
[M+HCOO]- 297.12447 175.1
[M+CH3COO]- 311.14012 170.2
[M+Na-2H]- 273.10094 164.1
[M]+ 252.12572 155.1
[M]- 252.12682 155.1
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

No patent data available for this compound.