CID 3071240

1,2,4-triazolo(3,4-a)phthalazine, 8-chloro-3-methyl-6-phenyl-

Structural Information

Molecular Formula
C16H11ClN4
SMILES
CC1=NN=C2N1N=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C16H11ClN4/c1-10-18-19-16-13-8-7-12(17)9-14(13)15(20-21(10)16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
PJVWRMUQRMLWBF-UHFFFAOYSA-N
Compound name
8-chloro-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

294.06723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07451 165.9
[M+Na]+ 317.05645 185.7
[M+NH4]+ 312.10105 175.4
[M+K]+ 333.03039 177.3
[M-H]- 293.05995 170.5
[M+Na-2H]- 315.04190 175.9
[M]+ 294.06668 170.7
[M]- 294.06778 170.7
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