CID 3046689

9h-dibenz(b,f)imidazo(1,2-d)(1,4)diazepine, 7-chloro-3-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H12ClN3
SMILES
CC1=CN=C2N1C3=C(C=C(C=C3)Cl)NC4=CC=CC=C42
InChI
InChI=1S/C16H12ClN3/c1-10-9-18-16-12-4-2-3-5-13(12)19-14-8-11(17)6-7-15(14)20(10)16/h2-9,19H,1H3
InChIKey
LXMKFYBUTMAPMO-UHFFFAOYSA-N
Compound name
16-chloro-3-methyl-2,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.07196 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07924 161.1
[M+Na]+ 304.06118 176.0
[M+NH4]+ 299.10578 170.1
[M+K]+ 320.03512 170.0
[M-H]- 280.06468 163.6
[M+Na-2H]- 302.04663 167.1
[M]+ 281.07141 164.4
[M]- 281.07251 164.4
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

No patent data available for this compound.