CID 3076973

Brn 4205510

Structural Information

Molecular Formula
C20H19N5
SMILES
C1CCN(C1)C2=NC3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)C2
InChI
InChI=1S/C20H19N5/c1-2-8-15(9-3-1)20-23-22-19-14-18(24-12-6-7-13-24)21-16-10-4-5-11-17(16)25(19)20/h1-5,8-11H,6-7,12-14H2
InChIKey
YVIPBKRUZNHNRC-UHFFFAOYSA-N
Compound name
1-phenyl-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16403 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17131 181.7
[M+Na]+ 352.15325 194.9
[M+NH4]+ 347.19785 189.1
[M+K]+ 368.12719 191.0
[M-H]- 328.15675 185.8
[M+Na-2H]- 350.13870 189.0
[M]+ 329.16348 184.8
[M]- 329.16458 184.8
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

No patent data available for this compound.