CID 39828

Brn 0847087

Structural Information

Molecular Formula
C19H17ClN2O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCOC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O4/c1-13-21-17-5-3-2-4-16(17)19(24)22(13)10-11-25-18(23)12-26-15-8-6-14(20)7-9-15/h2-9H,10-12H2,1H3
InChIKey
IMHBOKLSYFLOKS-UHFFFAOYSA-N
Compound name
2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.08768 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.094956 183.8
[M+Na]+ 395.076898 193.6
[M-H]- 371.080404 188.8
[M+NH4]+ 390.121503 195.1
[M+K]+ 411.050838 188.0
[M+H-H2O]+ 355.084940 173.9
[M+HCOO]- 417.085881 198.9
[M+CH3COO]- 431.101531 215.2
[M+Na-2H]- 393.062346 188.0
[M]+ 372.08713142 191.5
[M]- 372.08822858 191.5
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.