CID 3076971

Brn 4195141

Structural Information

Molecular Formula
C15H19N5
SMILES
CCN(CC)C1=NC2=CC=CC=C2N3C(=NN=C3C1)C
InChI
InChI=1S/C15H19N5/c1-4-19(5-2)14-10-15-18-17-11(3)20(15)13-9-7-6-8-12(13)16-14/h6-9H,4-5,10H2,1-3H3
InChIKey
OKQSWAGCGMUDII-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-methyl-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

269.16403 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17131 161.8
[M+Na]+ 292.15325 173.2
[M+NH4]+ 287.19785 168.7
[M+K]+ 308.12719 169.5
[M-H]- 268.15675 163.3
[M+Na-2H]- 290.13870 167.1
[M]+ 269.16348 163.8
[M]- 269.16458 163.8
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.