CID 3073959

6h-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-methyl-1-piperazinyl)-6-phenyl-

Structural Information

Molecular Formula
C21H22N6
SMILES
CN1CCN(CC1)C2=CC3=NN=CN3C4=CC=CC=C4N2C5=CC=CC=C5
InChI
InChI=1S/C21H22N6/c1-24-11-13-25(14-12-24)21-15-20-23-22-16-26(20)18-9-5-6-10-19(18)27(21)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3
InChIKey
FWTZLWWGUGYSFZ-UHFFFAOYSA-N
Compound name
5-(4-methylpiperazin-1-yl)-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.19058 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19786 191.9
[M+Na]+ 381.17980 205.8
[M+NH4]+ 376.22440 198.4
[M+K]+ 397.15374 200.0
[M-H]- 357.18330 195.8
[M+Na-2H]- 379.16525 198.9
[M]+ 358.19003 195.1
[M]- 358.19113 195.1
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.