CID 3078143

120116-64-5

Structural Information

Molecular Formula
C18H17N5
SMILES
CCCNC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C18H17N5/c1-2-12-19-18-21-20-17-15-11-7-6-10-14(15)16(22-23(17)18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21)
InChIKey
AKILEWSHHCTPAL-UHFFFAOYSA-N
Compound name
6-phenyl-N-propyl-[1,2,4]triazolo[3,4-a]phthalazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1484 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15568 171.4
[M+Na]+ 326.13762 181.8
[M-H]- 302.14112 175.2
[M+NH4]+ 321.18222 184.4
[M+K]+ 342.11156 174.3
[M+H-H2O]+ 286.14566 160.2
[M+HCOO]- 348.14660 191.6
[M+CH3COO]- 362.16225 182.1
[M+Na-2H]- 324.12307 179.7
[M]+ 303.14785 173.9
[M]- 303.14895 173.9
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

No patent data available for this compound.