CID 287746

70731-63-4

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C17H16N2O3/c1-11-18-14-5-3-2-4-13(14)17(22)19(11)9-8-12-6-7-15(20)16(21)10-12/h2-7,10,20-21H,8-9H2,1H3
InChIKey
CRTLOXLLWAYOLG-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dihydroxyphenyl)ethyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.123376 169.0
[M+Na]+ 319.105318 179.4
[M-H]- 295.108824 172.3
[M+NH4]+ 314.149923 181.7
[M+K]+ 335.079258 173.2
[M+H-H2O]+ 279.113360 160.0
[M+HCOO]- 341.114301 187.0
[M+CH3COO]- 355.129951 180.0
[M+Na-2H]- 317.090766 174.1
[M]+ 296.11555142 170.7
[M]- 296.11664858 170.7
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.