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]+ 292.108046 166.3
[M+Na]+ 314.089988 174.1
[M-H]- 290.093494 171.1
[M+NH4]+ 309.134593 179.2
[M+K]+ 330.063928 168.7
[M+H-H2O]+ 274.098030 156.2
[M+HCOO]- 336.098971 187.5
[M+CH3COO]- 350.114621 177.2
[M+Na-2H]- 312.075436 174.1
[M]+ 291.10022142 166.9
[M]- 291.10131858 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.