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]+ 270.171306 163.3
[M+Na]+ 292.153248 172.6
[M-H]- 268.156754 166.9
[M+NH4]+ 287.197853 178.4
[M+K]+ 308.127188 171.9
[M+H-H2O]+ 252.161290 152.8
[M+HCOO]- 314.162231 182.2
[M+CH3COO]- 328.177881 174.5
[M+Na-2H]- 290.138696 168.9
[M]+ 269.16348142 164.3
[M]- 269.16457858 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.