CID 63288

75913-03-0

Structural Information

Molecular Formula
C20H19ClN2O3
SMILES
CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3Cl)C)C
InChI
InChI=1S/C20H19ClN2O3/c1-5-26-20(25)17-11(2)10-15-18(12(17)3)19(24)23(13(4)22-15)16-9-7-6-8-14(16)21/h6-10H,5H2,1-4H3
InChIKey
JGICPIBJMZIJOF-UHFFFAOYSA-N
Compound name
ethyl 3-(2-chlorophenyl)-2,5,7-trimethyl-4-oxoquinazoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

370.10843 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11571 185.8
[M+Na]+ 393.09765 198.2
[M-H]- 369.10115 191.8
[M+NH4]+ 388.14225 198.2
[M+K]+ 409.07159 191.8
[M+H-H2O]+ 353.10569 176.7
[M+HCOO]- 415.10663 200.3
[M+CH3COO]- 429.12228 219.9
[M+Na-2H]- 391.08310 187.2
[M]+ 370.10788 193.8
[M]- 370.10898 193.8
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

patents stripe