CID 3064536

Brn 5456383

Structural Information

Molecular Formula
C20H16N4O3
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C20H16N4O3/c1-2-27-20(26)16-12-22-24(14-8-4-3-5-9-14)18(16)23-13-21-17-11-7-6-10-15(17)19(23)25/h3-13H,2H2,1H3
InChIKey
DIQBDSRAUNQCCA-UHFFFAOYSA-N
Compound name
ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.12225 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12953 185.1
[M+Na]+ 383.11147 195.9
[M-H]- 359.11497 191.7
[M+NH4]+ 378.15607 194.5
[M+K]+ 399.08541 189.4
[M+H-H2O]+ 343.11951 173.2
[M+HCOO]- 405.12045 204.7
[M+CH3COO]- 419.13610 195.5
[M+Na-2H]- 381.09692 189.1
[M]+ 360.12170 189.8
[M]- 360.12280 189.8
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

No patent data available for this compound.