CID 3062494

6h-1,3-dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine, 5,11-dihydro-

Structural Information

Molecular Formula
C12H11N3O2
SMILES
C1C2=NC=CN2CC3=CC4=C(C=C3N1)OCO4
InChI
InChI=1S/C12H11N3O2/c1-2-15-6-8-3-10-11(17-7-16-10)4-9(8)14-5-12(15)13-1/h1-4,14H,5-7H2
InChIKey
LEPAVKIGHTXSIB-UHFFFAOYSA-N
Compound name
13,15-dioxa-3,6,9-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),4,6,10,12(16)-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

229.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 145.2
[M+Na]+ 252.07435 154.3
[M-H]- 228.07785 149.5
[M+NH4]+ 247.11895 161.6
[M+K]+ 268.04829 153.9
[M+H-H2O]+ 212.08239 138.1
[M+HCOO]- 274.08333 159.9
[M+CH3COO]- 288.09898 157.1
[M+Na-2H]- 250.05980 151.1
[M]+ 229.08458 143.0
[M]- 229.08568 143.0
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