CID 206813

3,4-dihydro-1-phenylpyrrolo(3,2,1-jk)(1,4)benzodiazepine hydrobromide

Structural Information

Molecular Formula
C17H14N2
SMILES
C1CN2C=CC3=C2C(=CC=C3)C(=N1)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2/c1-2-5-13(6-3-1)16-15-8-4-7-14-9-11-19(17(14)15)12-10-18-16/h1-9,11H,10,12H2
InChIKey
JPRJECMCRHQLEN-UHFFFAOYSA-N
Compound name
9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12297 154.6
[M+Na]+ 269.10491 169.5
[M+NH4]+ 264.14951 164.2
[M+K]+ 285.07885 163.2
[M-H]- 245.10841 159.2
[M+Na-2H]- 267.09036 163.8
[M]+ 246.11514 158.4
[M]- 246.11624 158.4
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.

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No patent data available for this compound.