CID 63436

27945-58-0

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC1=CC(=CC(=C1O)C)N2C(=NC3=C(C2=O)C=CC(=C3)N)C
InChI
InChI=1S/C17H17N3O2/c1-9-6-13(7-10(2)16(9)21)20-11(3)19-15-8-12(18)4-5-14(15)17(20)22/h4-8,21H,18H2,1-3H3
InChIKey
CXTNHLYQMZUPBP-UHFFFAOYSA-N
Compound name
7-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]+ 296.139356 171.5
[M+Na]+ 318.121298 183.5
[M-H]- 294.124804 176.4
[M+NH4]+ 313.165903 185.1
[M+K]+ 334.095238 177.3
[M+H-H2O]+ 278.129340 162.7
[M+HCOO]- 340.130281 191.2
[M+CH3COO]- 354.145931 183.1
[M+Na-2H]- 316.106746 174.9
[M]+ 295.13153142 172.9
[M]- 295.13262858 172.9
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.