CID 63447

4(3h)-quinazolinone, 3-(2,4-dimethylphenyl)-2,6-dimethyl-

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)C)C)C
InChI
InChI=1S/C18H18N2O/c1-11-6-8-17(13(3)9-11)20-14(4)19-16-7-5-12(2)10-15(16)18(20)21/h5-10H,1-4H3
InChIKey
SGSQACGKBNAVQB-UHFFFAOYSA-N
Compound name
3-(2,4-dimethylphenyl)-2,6-dimethylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 166.3
[M+Na]+ 301.131118 178.4
[M-H]- 277.134624 172.4
[M+NH4]+ 296.175723 181.6
[M+K]+ 317.105058 172.4
[M+H-H2O]+ 261.139160 157.1
[M+HCOO]- 323.140101 186.6
[M+CH3COO]- 337.155751 178.8
[M+Na-2H]- 299.116566 170.8
[M]+ 278.14135142 169.4
[M]- 278.14244858 169.4
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.