CID 3067285

6-quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-3-(2-chlorophenyl)-5,7-dimethyl-1-(3-(dimethylamino)propyl)-2,4-dioxo-, ethyl ester

Structural Information

Molecular Formula
C24H28ClN3O4
SMILES
CCOC(=O)C1=C(C2=C(C=C1C)N(C(=O)N(C2=O)C3=CC=CC=C3Cl)CCCN(C)C)C
InChI
InChI=1S/C24H28ClN3O4/c1-6-32-23(30)20-15(2)14-19-21(16(20)3)22(29)28(18-11-8-7-10-17(18)25)24(31)27(19)13-9-12-26(4)5/h7-8,10-11,14H,6,9,12-13H2,1-5H3
InChIKey
MCJDUCYSHMAHFA-UHFFFAOYSA-N
Compound name
ethyl 3-(2-chlorophenyl)-1-[3-(dimethylamino)propyl]-5,7-dimethyl-2,4-dioxoquinazoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

457.17682 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.18410 209.8
[M+Na]+ 480.16604 220.3
[M-H]- 456.16954 216.8
[M+NH4]+ 475.21064 218.9
[M+K]+ 496.13998 214.9
[M+H-H2O]+ 440.17408 199.7
[M+HCOO]- 502.17502 224.7
[M+CH3COO]- 516.19067 242.7
[M+Na-2H]- 478.15149 208.4
[M]+ 457.17627 220.8
[M]- 457.17737 220.8
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