CID 206827

Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1-phenyl-3,4,6,7-tetrahydro-, hydrobromide

Structural Information

Molecular Formula
C17H16N2
SMILES
C1CN2CCN=C(C3=CC=CC1=C32)C4=CC=CC=C4
InChI
InChI=1S/C17H16N2/c1-2-5-13(6-3-1)16-15-8-4-7-14-9-11-19(17(14)15)12-10-18-16/h1-8H,9-12H2
InChIKey
MIVFTXTUMLLOOL-UHFFFAOYSA-N
Compound name
9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.13135 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.138626 158.2
[M+Na]+ 271.120568 165.6
[M-H]- 247.124074 164.5
[M+NH4]+ 266.165173 175.7
[M+K]+ 287.094508 162.8
[M+H-H2O]+ 231.128610 150.4
[M+HCOO]- 293.129551 176.3
[M+CH3COO]- 307.145201 169.5
[M+Na-2H]- 269.106016 164.0
[M]+ 248.13080142 154.6
[M]- 248.13189858 154.6
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