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 158.2
[M+Na]+ 278.13761 167.0
[M-H]- 254.14111 161.6
[M+NH4]+ 273.18221 173.5
[M+K]+ 294.11155 166.5
[M+H-H2O]+ 238.14565 147.6
[M+HCOO]- 300.14659 177.4
[M+CH3COO]- 314.16224 169.5
[M+Na-2H]- 276.12306 165.0
[M]+ 255.14784 158.5
[M]- 255.14894 158.5
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.