CID 63123

Arborine

Structural Information

Molecular Formula
C16H14N2O
SMILES
CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3
InChI
InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
XVPZRKIQCKKYNE-UHFFFAOYSA-N
Compound name
2-benzyl-1-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

380
Patents

250.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.8
[M+Na]+ 273.099828 167.0
[M-H]- 249.103334 162.1
[M+NH4]+ 268.144433 172.3
[M+K]+ 289.073768 161.2
[M+H-H2O]+ 233.107870 147.3
[M+HCOO]- 295.108811 177.8
[M+CH3COO]- 309.124461 169.2
[M+Na-2H]- 271.085276 164.7
[M]+ 250.11006142 158.0
[M]- 250.11115858 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