CID 619742

5060-63-9

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=C(C=CC=C1O)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C16H14N2O2/c1-10-14(8-5-9-15(10)19)18-11(2)17-13-7-4-3-6-12(13)16(18)20/h3-9,19H,1-2H3
InChIKey
GALCYPRSOBYHHW-UHFFFAOYSA-N
Compound name
3-(3-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.9
[M+Na]+ 289.09475 172.4
[M-H]- 265.09825 165.7
[M+NH4]+ 284.13935 175.7
[M+K]+ 305.06869 166.6
[M+H-H2O]+ 249.10279 152.1
[M+HCOO]- 311.10373 180.6
[M+CH3COO]- 325.11938 173.2
[M+Na-2H]- 287.08020 166.9
[M]+ 266.10498 162.7
[M]- 266.10608 162.7
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

No patent data available for this compound.