CID 206816

Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-, dihydrochloride

Structural Information

Molecular Formula
C11H14N2
SMILES
C1CNC2=CC=CC3=C2N(C1)CC3
InChI
InChI=1S/C11H14N2/c1-3-9-5-8-13-7-2-6-12-10(4-1)11(9)13/h1,3-4,12H,2,5-8H2
InChIKey
WDLAXZWPYLKBJP-UHFFFAOYSA-N
Compound name
1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11569 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 134.7
[M+Na]+ 197.10491 144.6
[M+NH4]+ 192.14951 143.6
[M+K]+ 213.07885 140.9
[M-H]- 173.10841 135.8
[M+Na-2H]- 195.09036 139.0
[M]+ 174.11514 136.3
[M]- 174.11624 136.3
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.