CID 16683590

Nsc670947

Structural Information

Molecular Formula
C32H34N2O6Sn2
SMILES
C[Sn]1(OC(=O)CCN=CC2=C(C=CC3=CC=CC=C32)O[Sn](OC(=O)CCN=CC4=C(O1)C=CC5=CC=CC=C54)(C)C)C
InChI
InChI=1S/2C14H13NO3.4CH3.2Sn/c2*16-13-6-5-10-3-1-2-4-11(10)12(13)9-15-8-7-14(17)18;;;;;;/h2*1-6,9,16H,7-8H2,(H,17,18);4*1H3;;/q;;;;;;2*+2/p-4
InChIKey
KNFUIJBRJMAUGI-UHFFFAOYSA-J
Compound name
3,3,21,21-tetramethyl-2,4,20,22-tetraoxa-8,26-diaza-3,21-distannapentacyclo[26.8.0.010,19.011,16.029,34]hexatriaconta-1(28),8,10(19),11,13,15,17,26,29,31,33,35-dodecaene-5,23-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

782.0461 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 783.05338 273.1
[M+Na]+ 805.03532 280.1
[M-H]- 781.03882 278.2
[M+NH4]+ 800.07992 270.5
[M+K]+ 821.00926 279.9
[M+H-H2O]+ 765.04336 260.4
[M+HCOO]- 827.04430 275.6
[M+CH3COO]- 841.05995 274.8
[M+Na-2H]- 803.02077 271.8
[M]+ 782.04555 272.5
[M]- 782.04665 272.5
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.