CID 3044490

9h-dibenz(b,f)imidazo(1,2-d)(1,4)diazepine

Structural Information

Molecular Formula
C15H11N3
SMILES
C1=CC=C2C(=C1)C3=NC=CN3C4=CC=CC=C4N2
InChI
InChI=1S/C15H11N3/c1-2-6-12-11(5-1)15-16-9-10-18(15)14-8-4-3-7-13(14)17-12/h1-10,17H
InChIKey
BHWWGQXSGHLRCN-UHFFFAOYSA-N
Compound name
2,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.09529 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10257 151.5
[M+Na]+ 256.08451 161.6
[M-H]- 232.08801 154.7
[M+NH4]+ 251.12911 168.8
[M+K]+ 272.05845 157.7
[M+H-H2O]+ 216.09255 143.7
[M+HCOO]- 278.09349 168.7
[M+CH3COO]- 292.10914 163.1
[M+Na-2H]- 254.06996 160.1
[M]+ 233.09474 148.4
[M]- 233.09584 148.4
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