CID 135416131

17329-27-0

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
InChIKey
PHQBXCTZDRMXMX-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

34
Patents

237.09021 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.097486 152.0
[M+Na]+ 260.079428 161.9
[M-H]- 236.082934 155.9
[M+NH4]+ 255.124033 166.9
[M+K]+ 276.053368 155.4
[M+H-H2O]+ 220.087470 143.3
[M+HCOO]- 282.088411 172.8
[M+CH3COO]- 296.104061 163.9
[M+Na-2H]- 258.064876 160.3
[M]+ 237.08966142 149.3
[M]- 237.09075858 149.3
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