CID 63382

Methylmethaqualone

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)C
InChI
InChI=1S/C17H16N2O/c1-11-8-9-16(12(2)10-11)19-13(3)18-15-7-5-4-6-14(15)17(19)20/h4-10H,1-3H3
InChIKey
MPMDMUROZIYIIM-UHFFFAOYSA-N
Compound name
3-(2,4-dimethylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

80
Patents

264.12625 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.6
[M+Na]+ 287.11547 173.3
[M-H]- 263.11897 167.6
[M+NH4]+ 282.16007 177.3
[M+K]+ 303.08941 167.4
[M+H-H2O]+ 247.12351 152.4
[M+HCOO]- 309.12445 182.3
[M+CH3COO]- 323.14010 174.3
[M+Na-2H]- 285.10092 167.5
[M]+ 264.12570 164.1
[M]- 264.12680 164.1
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

patents stripe