CID 63257

3-hydroxyproquazone

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O
InChI
InChI=1S/C18H18N2O2/c1-11(2)20-16-9-12(3)7-8-15(16)17(19-18(20)22)13-5-4-6-14(21)10-13/h4-11,21H,1-3H3
InChIKey
HGZHAINHFBFXIU-UHFFFAOYSA-N
Compound name
4-(3-hydroxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

294.13684 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.7
[M+Na]+ 317.12606 179.9
[M-H]- 293.12956 174.2
[M+NH4]+ 312.17066 183.2
[M+K]+ 333.10000 174.2
[M+H-H2O]+ 277.13410 160.6
[M+HCOO]- 339.13504 187.7
[M+CH3COO]- 353.15069 180.9
[M+Na-2H]- 315.11151 173.5
[M]+ 294.13629 171.5
[M]- 294.13739 171.5
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.