CID 136699709

1784983-15-8

Structural Information

Molecular Formula
C10H6N4O3
SMILES
C1=CC=C2C(=C1)C(=O)NC3=NC(=NN23)C(=O)O
InChI
InChI=1S/C10H6N4O3/c15-8-5-3-1-2-4-6(5)14-10(12-8)11-7(13-14)9(16)17/h1-4H,(H,16,17)(H,11,12,13,15)
InChIKey
WZWBHTULSQQBEY-UHFFFAOYSA-N
Compound name
5-oxo-4H-[1,2,4]triazolo[1,5-a]quinazoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04399 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.051266 146.6
[M+Na]+ 253.033208 159.2
[M-H]- 229.036714 145.8
[M+NH4]+ 248.077813 161.9
[M+K]+ 269.007148 154.0
[M+H-H2O]+ 213.041250 138.8
[M+HCOO]- 275.042191 164.3
[M+CH3COO]- 289.057841 158.8
[M+Na-2H]- 251.018656 154.4
[M]+ 230.04344142 148.5
[M]- 230.04453858 148.5
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.