CID 3071241

87540-76-9

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

3
Patents

315.1484 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.155676 173.9
[M+Na]+ 338.137618 183.8
[M-H]- 314.141124 179.5
[M+NH4]+ 333.182223 186.5
[M+K]+ 354.111558 176.2
[M+H-H2O]+ 298.145660 161.8
[M+HCOO]- 360.146601 190.6
[M+CH3COO]- 374.162251 184.0
[M+Na-2H]- 336.123066 177.0
[M]+ 315.14785142 173.4
[M]- 315.14894858 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