CID 6477647

(e)-2-[2-(4-acetoxyphenyl)ethenyl]quinazoline

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CC(=O)OC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C=N2
InChI
InChI=1S/C18H14N2O2/c1-13(21)22-16-9-6-14(7-10-16)8-11-18-19-12-15-4-2-3-5-17(15)20-18/h2-12H,1H3/b11-8+
InChIKey
FDEITMZTKZWWHH-DHZHZOJOSA-N
Compound name
[4-[(E)-2-quinazolin-2-ylethenyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.10553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 168.0
[M+Na]+ 313.09475 176.3
[M-H]- 289.09825 172.7
[M+NH4]+ 308.13935 181.3
[M+K]+ 329.06869 170.6
[M+H-H2O]+ 273.10279 157.9
[M+HCOO]- 335.10373 187.7
[M+CH3COO]- 349.11938 178.9
[M+Na-2H]- 311.08020 174.4
[M]+ 290.10498 169.3
[M]- 290.10608 169.3
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.