CID 3071213

Brn 6437214

Structural Information

Molecular Formula
C19H17N5O
SMILES
C1CCN(C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=C(C=C5)O
InChI
InChI=1S/C19H17N5O/c25-14-9-7-13(8-10-14)17-20-21-18-15-5-1-2-6-16(15)19(22-24(17)18)23-11-3-4-12-23/h1-2,5-10,25H,3-4,11-12H2
InChIKey
CSBRJIFVETUSBW-UHFFFAOYSA-N
Compound name
4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

331.1433 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15058 177.9
[M+Na]+ 354.13252 194.1
[M+NH4]+ 349.17712 185.6
[M+K]+ 370.10646 189.7
[M-H]- 330.13602 182.1
[M+Na-2H]- 352.11797 186.0
[M]+ 331.14275 181.4
[M]- 331.14385 181.4
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