CID 854350

3-amino-2-(p-tolyl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C15H13N3O
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N
InChI
InChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)14-17-13-5-3-2-4-12(13)15(19)18(14)16/h2-9H,16H2,1H3
InChIKey
WAFIOECZTXVOGL-UHFFFAOYSA-N
Compound name
3-amino-2-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

251.10587 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 157.2
[M+Na]+ 274.095088 168.0
[M-H]- 250.098594 162.6
[M+NH4]+ 269.139693 172.4
[M+K]+ 290.069028 162.1
[M+H-H2O]+ 234.103130 148.0
[M+HCOO]- 296.104071 179.0
[M+CH3COO]- 310.119721 169.6
[M+Na-2H]- 272.080536 164.4
[M]+ 251.10532142 157.0
[M]- 251.10641858 157.0
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