CID 63134

2(1h)-quinazolinone, 6-chloro-1-methyl-4-phenyl-

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11ClN2O/c1-18-13-8-7-11(16)9-12(13)14(17-15(18)19)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
JSTXCWJWQKRPIU-UHFFFAOYSA-N
Compound name
6-chloro-1-methyl-4-phenylquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

270.056 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.063276 158.4
[M+Na]+ 293.045218 170.7
[M-H]- 269.048724 163.8
[M+NH4]+ 288.089823 174.3
[M+K]+ 309.019158 163.7
[M+H-H2O]+ 253.053260 149.7
[M+HCOO]- 315.054201 175.1
[M+CH3COO]- 329.069851 171.1
[M+Na-2H]- 291.030666 165.5
[M]+ 270.05545142 161.8
[M]- 270.05654858 161.8
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