CID 3071188

Brn 6414225

Structural Information

Molecular Formula
C15H11N5
SMILES
C1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N
InChI
InChI=1S/C15H11N5/c16-13-11-8-4-5-9-12(11)15-18-17-14(20(15)19-13)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
InChIKey
NEDQMTDMHRJKRO-UHFFFAOYSA-N
Compound name
3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.10144 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10872 158.4
[M+Na]+ 284.09066 170.4
[M-H]- 260.09416 162.4
[M+NH4]+ 279.13526 173.0
[M+K]+ 300.06460 163.1
[M+H-H2O]+ 244.09870 148.0
[M+HCOO]- 306.09964 179.1
[M+CH3COO]- 320.11529 170.3
[M+Na-2H]- 282.07611 167.4
[M]+ 261.10089 159.2
[M]- 261.10199 159.2
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

No patent data available for this compound.