CID 386482

Nsc678511

Structural Information

Molecular Formula
C21H18BrNSn
SMILES
C1C2=CC=CC=C2[Sn]3(C4=CC=CC=C4CN1CC5=CC=CC=C53)Br
InChI
InChI=1S/C21H18N.BrH.Sn/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;;/h1-10,12,14H,16-18H2;1H;/q;;+1/p-1
InChIKey
DRHJKNJFHZOEKX-UHFFFAOYSA-M
Compound name
1-bromo-9-aza-1-stannapentacyclo[7.7.7.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.96445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.97173 114.7
[M+Na]+ 505.95367 114.8
[M-H]- 481.95717 114.8
[M+NH4]+ 500.99827 114.8
[M+K]+ 521.92761 114.8
[M+H-H2O]+ 465.96171 114.7
[M+HCOO]- 527.96265 114.7
[M+CH3COO]- 541.97830 114.7
[M+Na-2H]- 503.93912 114.6
[M]+ 482.96390 114.7
[M]- 482.96500 114.7
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.