CID 475098

6-piperazin-1-yl-11h-benzo[b][1,4]benzodiazepin-8-ol

Structural Information

Molecular Formula
C17H18N4O
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3NC4=C2C=C(C=C4)O
InChI
InChI=1S/C17H18N4O/c22-12-5-6-14-13(11-12)17(21-9-7-18-8-10-21)20-16-4-2-1-3-15(16)19-14/h1-6,11,18-19,22H,7-10H2
InChIKey
KHLDJZYBAOFZLE-UHFFFAOYSA-N
Compound name
6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.14807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 172.1
[M+Na]+ 317.13729 178.4
[M-H]- 293.14079 172.3
[M+NH4]+ 312.18189 181.2
[M+K]+ 333.11123 174.4
[M+H-H2O]+ 277.14533 161.5
[M+HCOO]- 339.14627 181.1
[M+CH3COO]- 353.16192 179.3
[M+Na-2H]- 315.12274 177.7
[M]+ 294.14752 162.2
[M]- 294.14862 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.