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

2
Patents

174.11569 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 137.0
[M+Na]+ 197.104908 143.1
[M-H]- 173.108414 138.7
[M+NH4]+ 192.149513 156.8
[M+K]+ 213.078848 141.6
[M+H-H2O]+ 157.112950 130.4
[M+HCOO]- 219.113891 152.9
[M+CH3COO]- 233.129541 148.4
[M+Na-2H]- 195.090356 143.3
[M]+ 174.11514142 130.4
[M]- 174.11623858 130.4
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