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]+ 349.118276 181.9
[M+Na]+ 371.100218 189.8
[M-H]- 347.103724 186.8
[M+NH4]+ 366.144823 192.8
[M+K]+ 387.074158 185.3
[M+H-H2O]+ 331.108260 171.5
[M+HCOO]- 393.109201 200.5
[M+CH3COO]- 407.124851 212.2
[M+Na-2H]- 369.085666 185.6
[M]+ 348.11045142 185.8
[M]- 348.11154858 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.