CID 3071192

Brn 6436751

Structural Information

Molecular Formula
C22H17N5
SMILES
C1=CC=C(C=C1)CNC2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-23-20-18-13-7-8-14-19(18)22-25-24-21(27(22)26-20)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26)
InChIKey
BGZRYVWWMJHNHC-UHFFFAOYSA-N
Compound name
N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.1484 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15568 182.6
[M+Na]+ 374.13762 192.3
[M-H]- 350.14112 189.2
[M+NH4]+ 369.18222 192.8
[M+K]+ 390.11156 183.2
[M+H-H2O]+ 334.14566 169.8
[M+HCOO]- 396.14660 202.3
[M+CH3COO]- 410.16225 192.3
[M+Na-2H]- 372.12307 191.0
[M]+ 351.14785 183.5
[M]- 351.14895 183.5
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.