CID 3071190

Brn 6423858

Structural Information

Molecular Formula
C17H15N5
SMILES
CCNC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C17H15N5/c1-2-18-15-13-10-6-7-11-14(13)17-20-19-16(22(17)21-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,21)
InChIKey
UTOJJUJERHHGQC-UHFFFAOYSA-N
Compound name
N-ethyl-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

289.13275 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14003 166.9
[M+Na]+ 312.12197 177.9
[M-H]- 288.12547 170.9
[M+NH4]+ 307.16657 180.6
[M+K]+ 328.09591 170.6
[M+H-H2O]+ 272.13001 156.0
[M+HCOO]- 334.13095 187.5
[M+CH3COO]- 348.14660 178.2
[M+Na-2H]- 310.10742 175.8
[M]+ 289.13220 169.2
[M]- 289.13330 169.2
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.