CID 419766

17154-54-0

Structural Information

Molecular Formula
C27H25NSn
SMILES
CC1=CC2=C(C=C1)N(C3=C([Sn]2(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C3)C)C
InChI
InChI=1S/C15H15N.2C6H5.Sn/c1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;2*1-2-4-6-5-3-1;/h4-8,10H,1-3H3;2*1-5H;
InChIKey
NOVNZOOEIFHILE-UHFFFAOYSA-N
Compound name
2,5,8-trimethyl-10,10-diphenylbenzo[b][1,4]benzazastannine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.1009 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.10818 216.5
[M+Na]+ 506.09012 224.4
[M-H]- 482.09362 225.2
[M+NH4]+ 501.13472 229.3
[M+K]+ 522.06406 215.1
[M+H-H2O]+ 466.09816 202.5
[M+HCOO]- 528.09910 232.1
[M+CH3COO]- 542.11475 224.3
[M+Na-2H]- 504.07557 218.6
[M]+ 483.10035 215.2
[M]- 483.10145 215.2
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.