CID 135458774

1026-04-6

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC=CC=C3O
InChI
InChI=1S/C14H10N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,17H,(H,15,16,18)
InChIKey
OVVWPYNVWLHEGE-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

140
Patents

238.07423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.081506 151.4
[M+Na]+ 261.063448 161.6
[M-H]- 237.066954 154.4
[M+NH4]+ 256.108053 166.0
[M+K]+ 277.037388 155.2
[M+H-H2O]+ 221.071490 143.0
[M+HCOO]- 283.072431 170.4
[M+CH3COO]- 297.088081 163.2
[M+Na-2H]- 259.048896 159.6
[M]+ 238.07368142 149.9
[M]- 238.07477858 149.9
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