CID 3064538

Brn 5459667

Structural Information

Molecular Formula
C22H20N4O3
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1C3=C(C=NN3C4=CC=CC=C4)C(=O)OCC
InChI
InChI=1S/C22H20N4O3/c1-3-19-24-18-13-9-8-12-16(18)21(27)25(19)20-17(22(28)29-4-2)14-23-26(20)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3
InChIKey
JMMKMNYAOKFWBF-UHFFFAOYSA-N
Compound name
ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.15353 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16081 194.7
[M+Na]+ 411.14275 205.4
[M-H]- 387.14625 201.3
[M+NH4]+ 406.18735 203.2
[M+K]+ 427.11669 198.6
[M+H-H2O]+ 371.15079 182.6
[M+HCOO]- 433.15173 213.6
[M+CH3COO]- 447.16738 204.5
[M+Na-2H]- 409.12820 196.8
[M]+ 388.15298 200.4
[M]- 388.15408 200.4
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.