CID 97338

21517-01-1

Structural Information

Molecular Formula
C15H10N4
SMILES
C1=CC=C(C=C1)C2=NN3C=NN=C3C4=CC=CC=C42
InChI
InChI=1S/C15H10N4/c1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-17-16-10-19(15)18-14/h1-10H
InChIKey
PXRWSPIIXAXJKZ-UHFFFAOYSA-N
Compound name
6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

246.09055 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.097826 154.6
[M+Na]+ 269.079768 166.5
[M-H]- 245.083274 158.5
[M+NH4]+ 264.124373 170.1
[M+K]+ 285.053708 159.6
[M+H-H2O]+ 229.087810 144.0
[M+HCOO]- 291.088751 174.8
[M+CH3COO]- 305.104401 166.9
[M+Na-2H]- 267.065216 164.4
[M]+ 246.09000142 156.3
[M]- 246.09109858 156.3
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