CID 3071557

Brn 4821327

Structural Information

Molecular Formula
C21H21N5
SMILES
C1CN(CCC1C2=CC=CC=C2)C3=NC4=CC=CC=C4N5C=NN=C5C3
InChI
InChI=1S/C21H21N5/c1-2-6-16(7-3-1)17-10-12-25(13-11-17)20-14-21-24-22-15-26(21)19-9-5-4-8-18(19)23-20/h1-9,15,17H,10-14H2
InChIKey
ANTCCVQSFQGGJO-UHFFFAOYSA-N
Compound name
5-(4-phenylpiperidin-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

343.1797 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18698 187.7
[M+Na]+ 366.16892 201.6
[M+NH4]+ 361.21352 195.0
[M+K]+ 382.14286 195.3
[M-H]- 342.17242 192.3
[M+Na-2H]- 364.15437 195.4
[M]+ 343.17915 191.1
[M]- 343.18025 191.1
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.