CID 63225

27945-57-9

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC1=CC(=CC(=C1O)C)N2C(=NC3=C(C2=O)C=C(C=C3)N)C
InChI
InChI=1S/C17H17N3O2/c1-9-6-13(7-10(2)16(9)21)20-11(3)19-15-5-4-12(18)8-14(15)17(20)22/h4-8,21H,18H2,1-3H3
InChIKey
OVMATUKVYLTHCC-UHFFFAOYSA-N
Compound name
6-amino-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 170.5
[M+Na]+ 318.12130 186.9
[M+NH4]+ 313.16590 177.8
[M+K]+ 334.09524 179.5
[M-H]- 294.12480 174.8
[M+Na-2H]- 316.10675 177.7
[M]+ 295.13153 174.1
[M]- 295.13263 174.1
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.