CID 3074668

1h-pyrazole-4-acetic acid, 5-(2-ethyl-4-oxo-3(4h)-quinzolinyl)-1-methyl-, ethyl ester

Structural Information

Molecular Formula
C18H20N4O3
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1C3=C(C=NN3C)CC(=O)OCC
InChI
InChI=1S/C18H20N4O3/c1-4-15-20-14-9-7-6-8-13(14)18(24)22(15)17-12(11-19-21(17)3)10-16(23)25-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKey
NNRPUEWRBMWEBT-UHFFFAOYSA-N
Compound name
ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.15353 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 181.5
[M+Na]+ 363.14275 193.1
[M-H]- 339.14625 185.2
[M+NH4]+ 358.18735 192.9
[M+K]+ 379.11669 187.7
[M+H-H2O]+ 323.15079 171.2
[M+HCOO]- 385.15173 200.8
[M+CH3COO]- 399.16738 212.9
[M+Na-2H]- 361.12820 183.7
[M]+ 340.15298 188.9
[M]- 340.15408 188.9
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.