CID 63358

6-aminomethaqualone

Structural Information

Molecular Formula
C16H15N3O
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)C
InChI
InChI=1S/C16H15N3O/c1-10-5-3-4-6-15(10)19-11(2)18-14-8-7-12(17)9-13(14)16(19)20/h3-9H,17H2,1-2H3
InChIKey
GOZTWIXHTIBOHQ-UHFFFAOYSA-N
Compound name
6-amino-2-methyl-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

265.12152 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 162.3
[M+Na]+ 288.11074 173.6
[M-H]- 264.11424 167.9
[M+NH4]+ 283.15534 177.3
[M+K]+ 304.08468 167.5
[M+H-H2O]+ 248.11878 153.2
[M+HCOO]- 310.11972 183.8
[M+CH3COO]- 324.13537 174.6
[M+Na-2H]- 286.09619 168.2
[M]+ 265.12097 162.9
[M]- 265.12207 162.9
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