CID 3064533

Brn 5452174

Structural Information

Molecular Formula
C15H14N4O3
SMILES
CCOC(=O)C1=C(N(N=C1)C)N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H14N4O3/c1-3-22-15(21)11-8-17-18(2)13(11)19-9-16-12-7-5-4-6-10(12)14(19)20/h4-9H,3H2,1-2H3
InChIKey
ZJXGJCQDPGSRSC-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1066 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11388 167.6
[M+Na]+ 321.09582 179.6
[M-H]- 297.09932 171.4
[M+NH4]+ 316.14042 180.4
[M+K]+ 337.06976 174.9
[M+H-H2O]+ 281.10386 157.6
[M+HCOO]- 343.10480 188.0
[M+CH3COO]- 357.12045 179.5
[M+Na-2H]- 319.08127 172.1
[M]+ 298.10605 173.5
[M]- 298.10715 173.5
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.