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 137.0
[M+Na]+ 197.10491 143.1
[M-H]- 173.10841 138.7
[M+NH4]+ 192.14951 156.8
[M+K]+ 213.07885 141.6
[M+H-H2O]+ 157.11295 130.4
[M+HCOO]- 219.11389 152.9
[M+CH3COO]- 233.12954 148.4
[M+Na-2H]- 195.09036 143.3
[M]+ 174.11514 130.4
[M]- 174.11624 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