CID 3076967

Brn 4189404

Structural Information

Molecular Formula
C12H13N5
SMILES
CN(C)C1=NC2=CC=CC=C2N3C=NN=C3C1
InChI
InChI=1S/C12H13N5/c1-16(2)11-7-12-15-13-8-17(12)10-6-4-3-5-9(10)14-11/h3-6,8H,7H2,1-2H3
InChIKey
WEUBMSDPVVGMTL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

227.1171 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12438 148.4
[M+Na]+ 250.10632 160.1
[M+NH4]+ 245.15092 155.8
[M+K]+ 266.08026 156.9
[M-H]- 226.10982 149.9
[M+Na-2H]- 248.09177 154.7
[M]+ 227.11655 150.5
[M]- 227.11765 150.5
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.