CID 3076972

133118-25-9

Structural Information

Molecular Formula
C20H21N5
SMILES
CCN(CC)C1=NC2=CC=CC=C2N3C(=NN=C3C4=CC=CC=C4)C1
InChI
InChI=1S/C20H21N5/c1-3-24(4-2)18-14-19-22-23-20(15-10-6-5-7-11-15)25(19)17-13-9-8-12-16(17)21-18/h5-13H,3-4,14H2,1-2H3
InChIKey
GYOSOHLMYLAMFB-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

331.1797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18698 180.8
[M+Na]+ 354.16892 194.0
[M+NH4]+ 349.21352 188.0
[M+K]+ 370.14286 188.5
[M-H]- 330.17242 184.8
[M+Na-2H]- 352.15437 188.4
[M]+ 331.17915 184.0
[M]- 331.18025 184.0
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.