CID 3071186

Brn 6437225

Structural Information

Molecular Formula
C19H17N5O
SMILES
C1COCCN1C2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C19H17N5O/c1-2-6-14(7-3-1)17-20-21-18-15-8-4-5-9-16(15)19(22-24(17)18)23-10-12-25-13-11-23/h1-9H,10-13H2
InChIKey
FFXVMDJRDNDICF-UHFFFAOYSA-N
Compound name
4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

331.1433 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15058 178.4
[M+Na]+ 354.13252 196.2
[M+NH4]+ 349.17712 186.5
[M+K]+ 370.10646 189.3
[M-H]- 330.13602 184.9
[M+Na-2H]- 352.11797 187.5
[M]+ 331.14275 183.0
[M]- 331.14385 183.0
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