CID 6477648

(e)-2-[2-(3,4-diacetoxyphenyl)ethenyl]quinazoline

Structural Information

Molecular Formula
C20H16N2O4
SMILES
CC(=O)OC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C=N2)OC(=O)C
InChI
InChI=1S/C20H16N2O4/c1-13(23)25-18-9-7-15(11-19(18)26-14(2)24)8-10-20-21-12-16-5-3-4-6-17(16)22-20/h3-12H,1-2H3/b10-8+
InChIKey
XJJUGVLFYJNVMB-CSKARUKUSA-N
Compound name
[2-acetyloxy-4-[(E)-2-quinazolin-2-ylethenyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.111 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11828 181.9
[M+Na]+ 371.10022 189.8
[M-H]- 347.10372 186.8
[M+NH4]+ 366.14482 192.8
[M+K]+ 387.07416 185.3
[M+H-H2O]+ 331.10826 171.5
[M+HCOO]- 393.10920 200.5
[M+CH3COO]- 407.12485 212.2
[M+Na-2H]- 369.08567 185.6
[M]+ 348.11045 185.8
[M]- 348.11155 185.8
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.