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

41
Patents

185.09529 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10257 137.9
[M+Na]+ 208.08451 146.1
[M-H]- 184.08801 139.6
[M+NH4]+ 203.12911 155.8
[M+K]+ 224.05845 144.3
[M+H-H2O]+ 168.09255 129.9
[M+HCOO]- 230.09349 155.2
[M+CH3COO]- 244.10914 149.7
[M+Na-2H]- 206.06996 145.7
[M]+ 185.09474 132.8
[M]- 185.09584 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