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]+ 373.09496 183.8
[M+Na]+ 395.07690 193.6
[M-H]- 371.08040 188.8
[M+NH4]+ 390.12150 195.1
[M+K]+ 411.05084 188.0
[M+H-H2O]+ 355.08494 173.9
[M+HCOO]- 417.08588 198.9
[M+CH3COO]- 431.10153 215.2
[M+Na-2H]- 393.06235 188.0
[M]+ 372.08713 191.5
[M]- 372.08823 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.