CID 63891

4(3h)-quinazolinone, 3-(((4-chlorophenyl)amino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CNC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClN3O/c16-11-5-7-12(8-6-11)17-9-19-10-18-14-4-2-1-3-13(14)15(19)20/h1-8,10,17H,9H2
InChIKey
BAGRWFJHTKHLNB-UHFFFAOYSA-N
Compound name
3-[(4-chloroanilino)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0669 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 162.3
[M+Na]+ 308.05612 179.9
[M+NH4]+ 303.10072 171.3
[M+K]+ 324.03006 170.2
[M-H]- 284.05962 167.6
[M+Na-2H]- 306.04157 172.7
[M]+ 285.06635 166.7
[M]- 285.06745 166.7
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.