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

1
Patents

350.12665 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.133926 182.3
[M+Na]+ 373.115868 190.6
[M-H]- 349.119374 186.2
[M+NH4]+ 368.160473 192.8
[M+K]+ 389.089808 185.3
[M+H-H2O]+ 333.123910 172.5
[M+HCOO]- 395.124851 199.3
[M+CH3COO]- 409.140501 211.9
[M+Na-2H]- 371.101316 184.9
[M]+ 350.12610142 185.0
[M]- 350.12719858 185.0
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

patents stripe