CID 3716472

14-iodo-1,10-diazatricyclo[9.4.0.0,3,8]pentadeca-3,5,7,10,12,14-hexaen-9-imine hydrobromide

Structural Information

Molecular Formula
C13H10IN3
SMILES
C1C2=CC=CC=C2C(=N)N=C3N1C=C(C=C3)I
InChI
InChI=1S/C13H10IN3/c14-10-5-6-12-16-13(15)11-4-2-1-3-9(11)7-17(12)8-10/h1-6,8,15H,7H2
InChIKey
KZXDKDKDPUMMKP-UHFFFAOYSA-N
Compound name
2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.99194 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.99922 149.0
[M+Na]+ 357.98116 150.9
[M-H]- 333.98466 146.5
[M+NH4]+ 353.02576 161.0
[M+K]+ 373.95510 155.2
[M+H-H2O]+ 317.98920 138.4
[M+HCOO]- 379.99014 163.8
[M+CH3COO]- 394.00579 156.9
[M+Na-2H]- 355.96661 147.2
[M]+ 334.99139 142.4
[M]- 334.99249 142.4
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.