CID 97337

234-80-0

Structural Information

Molecular Formula
C9H6N4
SMILES
C1=CC=C2C(=C1)C=NN3C2=NN=C3
InChI
InChI=1S/C9H6N4/c1-2-4-8-7(3-1)5-11-13-6-10-12-9(8)13/h1-6H
InChIKey
JVJPJKLSGUJUJK-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

182
Patents

170.05925 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06653 132.3
[M+Na]+ 193.04847 144.8
[M-H]- 169.05197 133.2
[M+NH4]+ 188.09307 151.3
[M+K]+ 209.02241 140.4
[M+H-H2O]+ 153.05651 123.5
[M+HCOO]- 215.05745 153.5
[M+CH3COO]- 229.07310 146.1
[M+Na-2H]- 191.03392 144.0
[M]+ 170.05870 134.4
[M]- 170.05980 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe