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]+ 295.074506 167.4
[M+Na]+ 317.056448 181.2
[M-H]- 293.059954 171.4
[M+NH4]+ 312.101053 182.2
[M+K]+ 333.030388 172.8
[M+H-H2O]+ 277.064490 156.8
[M+HCOO]- 339.065431 182.3
[M+CH3COO]- 353.081081 179.3
[M+Na-2H]- 315.041896 174.3
[M]+ 294.06668142 172.2
[M]- 294.06777858 172.2
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