CID 5112397

303091-12-5

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClN3O/c1-9-2-7-13-12(8-9)15(20)19(17)14(18-13)10-3-5-11(16)6-4-10/h2-8H,17H2,1H3
InChIKey
NJZKOQZRLNXYLI-UHFFFAOYSA-N
Compound name
3-amino-2-(4-chlorophenyl)-6-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0669 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 164.0
[M+Na]+ 308.05612 176.4
[M-H]- 284.05962 169.4
[M+NH4]+ 303.10072 179.1
[M+K]+ 324.03006 169.1
[M+H-H2O]+ 268.06416 155.5
[M+HCOO]- 330.06510 181.2
[M+CH3COO]- 344.08075 176.3
[M+Na-2H]- 306.04157 169.9
[M]+ 285.06635 166.4
[M]- 285.06745 166.4
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.