CID 3076455

Brn 3626100

Structural Information

Molecular Formula
C14H12N4O3
SMILES
CN1C(=C(C=N1)C(=O)OC)N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C14H12N4O3/c1-17-12(10(7-16-17)14(20)21-2)18-8-15-11-6-4-3-5-9(11)13(18)19/h3-8H,1-2H3
InChIKey
UTUIJKXKXKFFID-UHFFFAOYSA-N
Compound name
methyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09094 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09822 162.6
[M+Na]+ 307.08016 178.2
[M+NH4]+ 302.12476 168.4
[M+K]+ 323.05410 174.2
[M-H]- 283.08366 163.8
[M+Na-2H]- 305.06561 169.9
[M]+ 284.09039 165.0
[M]- 284.09149 165.0
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.