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]+ 231.05127 146.6
[M+Na]+ 253.03321 159.2
[M-H]- 229.03671 145.8
[M+NH4]+ 248.07781 161.9
[M+K]+ 269.00715 154.0
[M+H-H2O]+ 213.04125 138.8
[M+HCOO]- 275.04219 164.3
[M+CH3COO]- 289.05784 158.8
[M+Na-2H]- 251.01866 154.4
[M]+ 230.04344 148.5
[M]- 230.04454 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.