CID 135456660

4-quinazolinol, 2-anilino-

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C14H11N3O/c18-13-11-8-4-5-9-12(11)16-14(17-13)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17,18)
InChIKey
RACLRJZSLQLCFA-UHFFFAOYSA-N
Compound name
2-anilino-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

237.09021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.097486 150.5
[M+Na]+ 260.079428 159.4
[M-H]- 236.082934 154.4
[M+NH4]+ 255.124033 165.3
[M+K]+ 276.053368 153.2
[M+H-H2O]+ 220.087470 141.5
[M+HCOO]- 282.088411 171.9
[M+CH3COO]- 296.104061 162.3
[M+Na-2H]- 258.064876 160.6
[M]+ 237.08966142 148.3
[M]- 237.09075858 148.3
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