CID 21143

4'-hydroxymethaqualone

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=C(C=CC(=C1)O)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C16H14N2O2/c1-10-9-12(19)7-8-15(10)18-11(2)17-14-6-4-3-5-13(14)16(18)20/h3-9,19H,1-2H3
InChIKey
HIYZKXXSRNPSQJ-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

patents stripe