CID 54775605

956906-76-6

Structural Information

Molecular Formula
C15H10N6O2
SMILES
C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C(=O)O)N=C1
InChI
InChI=1S/C15H10N6O2/c22-15(23)12-7-17-13-14(18-12)21(20-19-13)8-9-3-4-11-10(6-9)2-1-5-16-11/h1-7H,8H2,(H,22,23)
InChIKey
QAPLSYVCDYUZQZ-UHFFFAOYSA-N
Compound name
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

306.08652 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09380 170.6
[M+Na]+ 329.07574 182.3
[M-H]- 305.07924 171.2
[M+NH4]+ 324.12034 179.9
[M+K]+ 345.04968 175.2
[M+H-H2O]+ 289.08378 159.3
[M+HCOO]- 351.08472 185.8
[M+CH3COO]- 365.10037 180.4
[M+Na-2H]- 327.06119 178.0
[M]+ 306.08597 173.3
[M]- 306.08707 173.3
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

patents stripe