CID 3071194

Brn 6422766

Structural Information

Molecular Formula
C17H15N5
SMILES
CN(C)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C17H15N5/c1-21(2)17-14-11-7-6-10-13(14)16-19-18-15(22(16)20-17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKey
HIYCGGNODCMEFG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

289.13275 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14003 166.0
[M+Na]+ 312.12197 183.3
[M+NH4]+ 307.16657 174.8
[M+K]+ 328.09591 176.5
[M-H]- 288.12547 171.0
[M+Na-2H]- 310.10742 176.1
[M]+ 289.13220 170.1
[M]- 289.13330 170.1
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

patents stripe