CID 16175

2006-80-6

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(=O)OC
InChI
InChI=1S/C17H14N2O3/c1-11-18-14-9-5-3-7-12(14)16(20)19(11)15-10-6-4-8-13(15)17(21)22-2/h3-10H,1-2H3
InChIKey
GWYMSEVUCVMJFZ-UHFFFAOYSA-N
Compound name
methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.107706 166.8
[M+Na]+ 317.089648 177.1
[M-H]- 293.093154 172.5
[M+NH4]+ 312.134253 180.5
[M+K]+ 333.063588 172.5
[M+H-H2O]+ 277.097690 157.1
[M+HCOO]- 339.098631 187.0
[M+CH3COO]- 353.114281 203.7
[M+Na-2H]- 315.075096 172.3
[M]+ 294.09988142 170.2
[M]- 294.10097858 170.2
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

No patent data available for this compound.