CID 3060399

5h-imidazo(2,1-c)(1,4)benzodiazepine, 10,11-dihydro-

Structural Information

Molecular Formula
C11H11N3
SMILES
C1C2=NC=CN2CC3=CC=CC=C3N1
InChI
InChI=1S/C11H11N3/c1-2-4-10-9(3-1)8-14-6-5-12-11(14)7-13-10/h1-6,13H,7-8H2
InChIKey
GWSCOZZXRQEHTO-UHFFFAOYSA-N
Compound name
5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

185.09529 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.102566 137.9
[M+Na]+ 208.084508 146.1
[M-H]- 184.088014 139.6
[M+NH4]+ 203.129113 155.8
[M+K]+ 224.058448 144.3
[M+H-H2O]+ 168.092550 129.9
[M+HCOO]- 230.093491 155.2
[M+CH3COO]- 244.109141 149.7
[M+Na-2H]- 206.069956 145.7
[M]+ 185.09474142 132.8
[M]- 185.09583858 132.8
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

patents stripe