CID 3076968

Brn 4191857

Structural Information

Molecular Formula
C13H15N5
SMILES
CC1=NN=C2N1C3=CC=CC=C3N=C(C2)N(C)C
InChI
InChI=1S/C13H15N5/c1-9-15-16-13-8-12(17(2)3)14-10-6-4-5-7-11(10)18(9)13/h4-7H,8H2,1-3H3
InChIKey
RLHSABHZOVIPNW-UHFFFAOYSA-N
Compound name
N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.13275 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14003 154.4
[M+Na]+ 264.12197 164.6
[M-H]- 240.12547 158.4
[M+NH4]+ 259.16657 170.7
[M+K]+ 280.09591 164.4
[M+H-H2O]+ 224.13001 144.4
[M+HCOO]- 286.13095 174.0
[M+CH3COO]- 300.14660 166.5
[M+Na-2H]- 262.10742 161.1
[M]+ 241.13220 154.9
[M]- 241.13330 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.