CID 377665

Nsc659246

Structural Information

Molecular Formula
C17H15Cl2N3
SMILES
C1CC2=C3C(=CC(=C2)N=NC4=C(C=CC(=C4)Cl)Cl)CCN3C1
InChI
InChI=1S/C17H15Cl2N3/c18-13-3-4-15(19)16(10-13)21-20-14-8-11-2-1-6-22-7-5-12(9-14)17(11)22/h3-4,8-10H,1-2,5-7H2
InChIKey
DQOXJUSTQOIDNG-UHFFFAOYSA-N
Compound name
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl-(2,5-dichlorophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0643 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07158 177.4
[M+Na]+ 354.05352 186.6
[M-H]- 330.05702 184.9
[M+NH4]+ 349.09812 196.0
[M+K]+ 370.02746 179.5
[M+H-H2O]+ 314.06156 168.9
[M+HCOO]- 376.06250 190.7
[M+CH3COO]- 390.07815 188.4
[M+Na-2H]- 352.03897 181.4
[M]+ 331.06375 180.4
[M]- 331.06485 180.4
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.