CID 63704

4(3h)-quinazolinone, 3-(o-aminophenyl)-2-methyl-

Structural Information

Molecular Formula
C15H13N3O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3N
InChI
InChI=1S/C15H13N3O/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16/h2-9H,16H2,1H3
InChIKey
KNJPCPIZTHFKDF-UHFFFAOYSA-N
Compound name
3-(2-aminophenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.10587 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe