CID 3076453

131073-54-6

Structural Information

Molecular Formula
C13H10N4O3
SMILES
CN1C(=C(C=N1)C(=O)O)N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C13H10N4O3/c1-16-11(9(6-15-16)13(19)20)17-7-14-10-5-3-2-4-8(10)12(17)18/h2-7H,1H3,(H,19,20)
InChIKey
KORYAOHVFSREKV-UHFFFAOYSA-N
Compound name
1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0753 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 158.6
[M+Na]+ 293.06452 173.8
[M+NH4]+ 288.10912 164.2
[M+K]+ 309.03846 170.4
[M-H]- 269.06802 159.4
[M+Na-2H]- 291.04997 165.5
[M]+ 270.07475 160.8
[M]- 270.07585 160.8
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.