CID 54676972

Oprea1_079930

Structural Information

Molecular Formula
C16H12N4O3
SMILES
C1CN2C3=C1C=CC=C3C(=C(C2=O)C(=O)NC4=NC=CN=C4)O
InChI
InChI=1S/C16H12N4O3/c21-14-10-3-1-2-9-4-7-20(13(9)10)16(23)12(14)15(22)19-11-8-17-5-6-18-11/h1-3,5-6,8,21H,4,7H2,(H,18,19,22)
InChIKey
ZFWHAMXMNVEUBX-UHFFFAOYSA-N
Compound name
9-hydroxy-11-oxo-N-pyrazin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

308.09094 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09822 168.0
[M+Na]+ 331.08016 177.4
[M-H]- 307.08366 171.6
[M+NH4]+ 326.12476 181.7
[M+K]+ 347.05410 172.0
[M+H-H2O]+ 291.08820 158.7
[M+HCOO]- 353.08914 186.0
[M+CH3COO]- 367.10479 178.7
[M+Na-2H]- 329.06561 174.0
[M]+ 308.09039 169.4
[M]- 308.09149 169.4
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.