CID 3076966

Brn 4210896

Structural Information

Molecular Formula
C24H21N5
SMILES
CCN(C1=NC2=CC=CC=C2N3C(=NN=C3C4=CC=CC=C4)C1)C5=CC=CC=C5
InChI
InChI=1S/C24H21N5/c1-2-28(19-13-7-4-8-14-19)22-17-23-26-27-24(18-11-5-3-6-12-18)29(23)21-16-10-9-15-20(21)25-22/h3-16H,2,17H2,1H3
InChIKey
UEQBCKHDSBUCLS-UHFFFAOYSA-N
Compound name
N-ethyl-N,1-diphenyl-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

379.1797 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18698 195.4
[M+Na]+ 402.16892 203.5
[M-H]- 378.17242 204.3
[M+NH4]+ 397.21352 204.9
[M+K]+ 418.14286 199.5
[M+H-H2O]+ 362.17696 182.7
[M+HCOO]- 424.17790 213.4
[M+CH3COO]- 438.19355 204.2
[M+Na-2H]- 400.15437 200.3
[M]+ 379.17915 194.0
[M]- 379.18025 194.0
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.