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 163.3
[M+Na]+ 292.15325 172.6
[M-H]- 268.15675 166.9
[M+NH4]+ 287.19785 178.4
[M+K]+ 308.12719 171.9
[M+H-H2O]+ 252.16129 152.8
[M+HCOO]- 314.16223 182.2
[M+CH3COO]- 328.17788 174.5
[M+Na-2H]- 290.13870 168.9
[M]+ 269.16348 164.3
[M]- 269.16458 164.3
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.