CID 1861918

27440-42-2

Structural Information

Molecular Formula
C15H13N3O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)N
InChI
InChI=1S/C15H13N3O/c1-10-17-14-5-3-2-4-13(14)15(19)18(10)12-8-6-11(16)7-9-12/h2-9H,16H2,1H3
InChIKey
SFPYLVILXJIMJC-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

251.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 157.2
[M+Na]+ 274.09509 168.0
[M-H]- 250.09859 162.6
[M+NH4]+ 269.13969 172.4
[M+K]+ 290.06903 162.1
[M+H-H2O]+ 234.10313 148.0
[M+HCOO]- 296.10407 179.0
[M+CH3COO]- 310.11972 169.6
[M+Na-2H]- 272.08054 164.4
[M]+ 251.10532 157.0
[M]- 251.10642 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

No patent data available for this compound.