CID 139018831

N-(4-phenoxyquinazolin-7-yl)prop-2-enamide

Structural Information

Molecular Formula
C17H13N3O2
SMILES
C=CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)OC3=CC=CC=C3
InChI
InChI=1S/C17H13N3O2/c1-2-16(21)20-12-8-9-14-15(10-12)18-11-19-17(14)22-13-6-4-3-5-7-13/h2-11H,1H2,(H,20,21)
InChIKey
YTQPQWUOQWSRCB-UHFFFAOYSA-N
Compound name
N-(4-phenoxyquinazolin-7-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10077 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 166.3
[M+Na]+ 314.08999 174.1
[M-H]- 290.09349 171.1
[M+NH4]+ 309.13459 179.2
[M+K]+ 330.06393 168.7
[M+H-H2O]+ 274.09803 156.2
[M+HCOO]- 336.09897 187.5
[M+CH3COO]- 350.11462 177.2
[M+Na-2H]- 312.07544 174.1
[M]+ 291.10022 166.9
[M]- 291.10132 166.9
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

No patent data available for this compound.