CID 63721

Chi 2

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3
InChI
InChI=1S/C16H14N2O/c1-12-17-15-10-6-5-9-14(15)16(19)18(12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKey
AEEMIAVGTXSJQZ-UHFFFAOYSA-N
Compound name
3-benzyl-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 156.8
[M+Na]+ 273.09983 167.0
[M-H]- 249.10333 162.1
[M+NH4]+ 268.14443 172.3
[M+K]+ 289.07377 161.2
[M+H-H2O]+ 233.10787 147.3
[M+HCOO]- 295.10881 177.8
[M+CH3COO]- 309.12446 169.2
[M+Na-2H]- 271.08528 164.7
[M]+ 250.11006 158.0
[M]- 250.11116 158.0
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