CID 3071556

Brn 4813307

Structural Information

Molecular Formula
C15H17N5
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3N4C=NN=C4C2
InChI
InChI=1S/C15H17N5/c1-4-8-19(9-5-1)14-10-15-18-16-11-20(15)13-7-3-2-6-12(13)17-14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKey
JNRVXWFZWNKIHP-UHFFFAOYSA-N
Compound name
5-piperidin-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

267.1484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15568 164.2
[M+Na]+ 290.13762 176.3
[M+NH4]+ 285.18222 171.5
[M+K]+ 306.11156 171.7
[M-H]- 266.14112 166.4
[M+Na-2H]- 288.12307 170.4
[M]+ 267.14785 166.6
[M]- 267.14895 166.6
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.