CID 376216

Brn 4813286

Structural Information

Molecular Formula
C16H21N5
SMILES
CCCN(CCC)C1=NC2=CC=CC=C2N3C=NN=C3C1
InChI
InChI=1S/C16H21N5/c1-3-9-20(10-4-2)15-11-16-19-17-12-21(16)14-8-6-5-7-13(14)18-15/h5-8,12H,3-4,9-11H2,1-2H3
InChIKey
JILYKWDWHKTCDX-UHFFFAOYSA-N
Compound name
N,N-dipropyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1797 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18698 166.9
[M+Na]+ 306.16892 174.9
[M-H]- 282.17242 170.0
[M+NH4]+ 301.21352 181.2
[M+K]+ 322.14286 174.0
[M+H-H2O]+ 266.17696 156.0
[M+HCOO]- 328.17790 185.5
[M+CH3COO]- 342.19355 177.3
[M+Na-2H]- 304.15437 172.7
[M]+ 283.17915 167.8
[M]- 283.18025 167.8
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.