CID 3071559

Brn 4815643

Structural Information

Molecular Formula
C15H18N6
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3N4C=NN=C4C2
InChI
InChI=1S/C15H18N6/c1-19-6-8-20(9-7-19)14-10-15-18-16-11-21(15)13-5-3-2-4-12(13)17-14/h2-5,11H,6-10H2,1H3
InChIKey
GUHLWOXHNSWUMK-UHFFFAOYSA-N
Compound name
5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1593 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16658 169.3
[M+Na]+ 305.14852 178.0
[M-H]- 281.15202 171.1
[M+NH4]+ 300.19312 180.0
[M+K]+ 321.12246 174.7
[M+H-H2O]+ 265.15656 155.6
[M+HCOO]- 327.15750 181.1
[M+CH3COO]- 341.17315 178.0
[M+Na-2H]- 303.13397 173.2
[M]+ 282.15875 164.1
[M]- 282.15985 164.1
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.