CID 135540423

2-ethoxallylmethyl-3-o-tolyl-4(3h)-quinazolinone

Structural Information

Molecular Formula
C20H18N2O4
SMILES
CCOC(=O)/C(=C/C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C)/O
InChI
InChI=1S/C20H18N2O4/c1-3-26-20(25)17(23)12-18-21-15-10-6-5-9-14(15)19(24)22(18)16-11-7-4-8-13(16)2/h4-12,23H,3H2,1-2H3/b17-12-
InChIKey
PXLVVRCBNWVWKS-ATVHPVEESA-N
Compound name
ethyl (Z)-2-hydroxy-3-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 182.0
[M+Na]+ 373.11587 196.7
[M+NH4]+ 368.16047 187.5
[M+K]+ 389.08981 190.1
[M-H]- 349.11937 184.1
[M+Na-2H]- 371.10132 188.3
[M]+ 350.12610 184.6
[M]- 350.12720 184.6
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.