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]+ 279.14918 166.3
[M+Na]+ 301.13112 178.4
[M-H]- 277.13462 172.4
[M+NH4]+ 296.17572 181.6
[M+K]+ 317.10506 172.4
[M+H-H2O]+ 261.13916 157.1
[M+HCOO]- 323.14010 186.6
[M+CH3COO]- 337.15575 178.8
[M+Na-2H]- 299.11657 170.8
[M]+ 278.14135 169.4
[M]- 278.14245 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.