CID 3073958

153901-49-6

Structural Information

Molecular Formula
C18H17N5
SMILES
CN(C)C1=CC2=NN=CN2C3=CC=CC=C3N1C4=CC=CC=C4
InChI
InChI=1S/C18H17N5/c1-21(2)18-12-17-20-19-13-22(17)15-10-6-7-11-16(15)23(18)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKey
ILJCIDDGDIKIAU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-6-phenyl-[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

303.1484 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15568 172.7
[M+Na]+ 326.13762 182.1
[M-H]- 302.14112 179.3
[M+NH4]+ 321.18222 185.9
[M+K]+ 342.11156 180.0
[M+H-H2O]+ 286.14566 161.4
[M+HCOO]- 348.14660 191.8
[M+CH3COO]- 362.16225 183.4
[M+Na-2H]- 324.12307 178.8
[M]+ 303.14785 172.3
[M]- 303.14895 172.3
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.