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 163.4
[M+Na]+ 290.13762 171.0
[M-H]- 266.14112 166.1
[M+NH4]+ 285.18222 175.7
[M+K]+ 306.11156 168.0
[M+H-H2O]+ 250.14566 150.8
[M+HCOO]- 312.14660 176.6
[M+CH3COO]- 326.16225 172.6
[M+Na-2H]- 288.12307 168.3
[M]+ 267.14785 157.3
[M]- 267.14895 157.3
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.