CID 3076965

Brn 4204004

Structural Information

Molecular Formula
C19H19N5
SMILES
CC1C2=NN=C(N2C3=CC=CC=C3N=C1N(C)C)C4=CC=CC=C4
InChI
InChI=1S/C19H19N5/c1-13-17(23(2)3)20-15-11-7-8-12-16(15)24-18(13)21-22-19(24)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKey
QRPMJDZDYFAQLP-UHFFFAOYSA-N
Compound name
N,N,4-trimethyl-1-phenyl-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

317.16403 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17131 178.2
[M+Na]+ 340.15325 188.1
[M-H]- 316.15675 185.1
[M+NH4]+ 335.19785 191.2
[M+K]+ 356.12719 185.9
[M+H-H2O]+ 300.16129 167.0
[M+HCOO]- 362.16223 197.0
[M+CH3COO]- 376.17788 188.9
[M+Na-2H]- 338.13870 183.0
[M]+ 317.16348 178.5
[M]- 317.16458 178.5
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.