CID 4650634

58487-55-1

Structural Information

Molecular Formula
C16H14N2O2
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)C3=CC=CC=C3)OC
InChI
InChI=1S/C16H14N2O2/c1-19-14-8-12-13(9-15(14)20-2)17-10-18-16(12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
WEMBBRGPOSDSBG-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

266.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.112806 160.8
[M+Na]+ 289.094748 170.5
[M-H]- 265.098254 166.0
[M+NH4]+ 284.139353 175.6
[M+K]+ 305.068688 166.0
[M+H-H2O]+ 249.102790 151.0
[M+HCOO]- 311.103731 181.8
[M+CH3COO]- 325.119381 172.9
[M+Na-2H]- 287.080196 168.7
[M]+ 266.10498142 164.1
[M]- 266.10607858 164.1
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

patents stripe