CID 3071241

1,2,4-triazolo(3,4-a)phthalazine, 6-phenyl-3-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C19H17N5
SMILES
C1CCN(C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C19H17N5/c1-2-8-14(9-3-1)17-15-10-4-5-11-16(15)18-20-21-19(24(18)22-17)23-12-6-7-13-23/h1-5,8-11H,6-7,12-13H2
InChIKey
OYGRVAWBPAPTDN-UHFFFAOYSA-N
Compound name
6-phenyl-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

315.1484 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15568 173.9
[M+Na]+ 338.13762 183.8
[M-H]- 314.14112 179.5
[M+NH4]+ 333.18222 186.5
[M+K]+ 354.11156 176.2
[M+H-H2O]+ 298.14566 161.8
[M+HCOO]- 360.14660 190.6
[M+CH3COO]- 374.16225 184.0
[M+Na-2H]- 336.12307 177.0
[M]+ 315.14785 173.4
[M]- 315.14895 173.4
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

patents stripe