CID 39454

46410-78-0

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CCC2=C(C1)C=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H14N2/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15-11/h3-4,7-9,15H,1-2,5-6H2
InChIKey
ZLYVOWHTMHOOGG-UHFFFAOYSA-N
Compound name
8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 142.4
[M+Na]+ 221.10491 154.7
[M+NH4]+ 216.14951 151.5
[M+K]+ 237.07885 148.2
[M-H]- 197.10841 145.0
[M+Na-2H]- 219.09036 149.3
[M]+ 198.11514 145.0
[M]- 198.11624 145.0
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

No patent data available for this compound.