CID 377620

Nsc659198

Structural Information

Molecular Formula
C18H17Cl2N3
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)N=NC4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C18H17Cl2N3/c19-14-5-6-16(20)17(11-14)22-21-15-9-12-3-1-7-23-8-2-4-13(10-15)18(12)23/h5-6,9-11H,1-4,7-8H2
InChIKey
HZLAGPFZLLYVCV-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl-(2,5-dichlorophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.07996 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08724 179.4
[M+Na]+ 368.06918 187.1
[M-H]- 344.07268 186.0
[M+NH4]+ 363.11378 195.4
[M+K]+ 384.04312 180.1
[M+H-H2O]+ 328.07722 170.0
[M+HCOO]- 390.07816 190.1
[M+CH3COO]- 404.09381 189.2
[M+Na-2H]- 366.05463 184.9
[M]+ 345.07941 180.5
[M]- 345.08051 180.5
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.