CID 3076970

Brn 4192003

Structural Information

Molecular Formula
C14H17N5
SMILES
CCN(CC)C1=NC2=CC=CC=C2N3C=NN=C3C1
InChI
InChI=1S/C14H17N5/c1-3-18(4-2)13-9-14-17-15-10-19(14)12-8-6-5-7-11(12)16-13/h5-8,10H,3-4,9H2,1-2H3
InChIKey
WERVPEWEZOINSQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

255.14839 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 157.0
[M+Na]+ 278.13761 168.3
[M+NH4]+ 273.18221 164.1
[M+K]+ 294.11155 164.6
[M-H]- 254.14111 158.5
[M+Na-2H]- 276.12306 162.8
[M]+ 255.14784 159.0
[M]- 255.14894 159.0
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.